SCHEMBL2703124

SCHEMBL2703124

CC(C)(C)CCC(=O)NCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
NCOR2 Q9Y618 3/20 0.60
HDAC4 P56524 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 1/20 0.58
TAAR1 Q96RJ0 1/20 0.56
HPGD P15428 2/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
F13A1 P00488 1/20 0.54
PLAAT5 Q96KN8 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16900094 0.91 L3MBTL1 (0.73) L3MBTL1NPC1RAB9AHPGDKDM4E
SCHEMBL18717449 0.86 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10245864 0.85 HPGD (0.57) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7765076 0.84 L3MBTL1 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10268245 0.83 GAA (0.66) L3MBTL1HPGDLMNA
SCHEMBL8331572 0.83 NPC1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2186352 0.83 HDAC2 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1690856 0.81 HPGD (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9011323 0.81 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4074353 0.81 HDAC3 (0.87) HDAC3HDAC1HDAC2HDAC10HDAC11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9636345-B2 Benzimidazole derivatives useful TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-20170088531-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 US disclosed
US-20160200719-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-07-14 US disclosed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 US disclosed
US-9205076-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2015-12-08 US disclosed
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-04 US disclosed
US-8981113-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2015-03-17 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7417030-B2 Indazole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 US disclosed
US-20080119500-A1 PYRIDINE IMIDAZOLES AND AZA-INDOLES AS PROGESTERONE RECEPTOR MODULATORS JIANG WEIQIN 2008-05-22 US disclosed
US-7375123-B2 1,2,4-thiadiazole derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-05-20 US disclosed
US-7348438-B2 Benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-25 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070004715-A1 Novel spiro-quinuclidinyl derivatives for the treatment of central nervous system disorders JANSSEN PHARMACEUTICAL, N.V., A CORP. OF BELGIUM (BE) 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers KCNQ1, KCNQ2, KCNJ2 HDAC3 403/4885HDAC1 1389/4885HDAC2 819/4885
US-20080119500-A1 PYRIDINE IMIDAZOLES AND AZA-INDOLES AS PROGESTERONE RECEPTOR MODULATORS PGR, GPER1, FSHR HDAC3 280/4885HDAC1 317/4885HDAC2 254/4885
US-20170088531-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 HDAC3 624/4885HDAC1 1245/4885HDAC2 837/4885
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 HDAC3 323/4885HDAC1 334/4885HDAC2 424/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 HDAC3 1139/4885HDAC1 461/4885HDAC2 964/4885
US-20070004715-A1 Novel spiro-quinuclidinyl derivatives for the treatment of central nervous system disorders GRIN2C, GRIN2A, CHRNA2 HDAC3 221/4885HDAC1 1251/4885HDAC2 753/4885
US-20160200719-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS CNR1, CNR2, GPR119 HDAC3 2239/4885HDAC1 3026/4885HDAC2 3483/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 HDAC3 475/4885HDAC1 553/4885HDAC2 1245/4885
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists CNR1, CNR2, GPR119 HDAC3 1423/4885HDAC1 2664/4885HDAC2 2826/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.