SCHEMBL7992940

SCHEMBL7992940

CC(=O)N1CCc2cc(C)ccc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.65
BAZ2B Q9UIF8 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
TMPRSS2 O15393 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ESR2 Q92731 4/20 0.47
ESR1 P03372 3/20 0.47
AKR1C3 P42330 1/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL12287671 0.93 NOTUM (0.65) NOTUMBAZ2BRAB9ANPC1ALDH1A1
SCHEMBL9057753 0.90 NOTUM (0.58) NOTUMBAZ2BRAB9ANPC1ALDH1A1
SCHEMBL10150901 0.86 NOTUM (0.62) NOTUMBAZ2BRAB9ANPC1TAS1R3
SCHEMBL12013933 0.84 NOTUM (0.53) NOTUMBAZ2BRAB9ANPC1ALDH1A1
SCHEMBL10681537 0.83 ESR2 (0.66) NOTUMESR2ESR1HDAC8HDAC6
SCHEMBL24682498 0.83 RAB9A (0.56) NOTUMRAB9ANPC1TMPRSS2ALDH1A1
SCHEMBL8108171 0.83 ESR2 (0.53) RAB9ANPC1TMPRSS2ALDH1A1SMN1; SMN2
SCHEMBL20909793 0.83 KIF11 (0.48) NOTUMRAB9ANPC1TMPRSS2ALDH1A1
SCHEMBL8004763 0.83 MEN1 (0.53) NOTUMRAB9ANPC1TMPRSS2ALDH1A1
SCHEMBL10920943 0.82 NOTUM (0.63) NOTUMBAZ2BTMPRSS2TAS1R3TAS1R1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-11-02 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-05 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
WO-2016034675-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO 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 (7 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-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 NOTUM 2259/4885BAZ2B 198/4885RAB9A 1838/4885
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 NOTUM 3059/4885BAZ2B 3196/4885RAB9A 2183/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 NOTUM 1851/4885BAZ2B 143/4885RAB9A 1533/4885
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 NOTUM 562/4885BAZ2B 1757/4885RAB9A 2979/4885
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT3, PRMT1 NOTUM 2081/4885BAZ2B 138/4885RAB9A 1590/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NOTUM 1414/4885BAZ2B 3166/4885RAB9A 357/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NOTUM 1414/4885BAZ2B 3166/4885RAB9A 357/4885

“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.