SCHEMBL1817985

SCHEMBL1817985

CC(C)(C)CC(=O)N1CCSCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.35
DPP4 P27487 5/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
PREP P48147 1/20 0.34

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
SCHEMBL9944489 0.88 DPP4 (0.43) DPP4DPP8DPP9DPP7PREP
SCHEMBL23518518 0.84 ALDH1A1 (0.42) FAAHHPGDMEN1CYP1A2CYP3A4
SCHEMBL12335993 0.82 FAAH (0.35) FAAHPHGDHMGLLKCNQ3KCNQ2
SCHEMBL1515195 0.80 MEN1 (0.47) FAAHMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL803099 0.80 MEN1 (0.52) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL15119954 0.80 ALDH1A1 (0.38) FAAHPHGDHMGLLKCNQ3KCNQ2
SCHEMBL22030493 0.79 KDM4E (0.38) FAAHMEN1CYP2C19KMT2AALDH1A1
SCHEMBL20121992 0.78 MEN1 (0.55) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL23080297 0.78 MEN1 (0.55) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL20121989 0.78 MEN1 (0.55) MEN1CYP1A2CYP3A4CYP2C19KMT2A

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-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-8389728-B2 Pollen tube stimulants from Arabidopsis pistils THE ARIZONA BOARD OF REGENTS (US) 2013-03-05 US disclosed
US-8389728-B2 Pollen tube stimulants from Arabidopsis pistils THE ARIZONA BOARD OF REGENTS (US) 2013-03-05 US disclosed
US-20110111959-A1 POLLEN TUBE STIMULANTS FROM ARABIDOPSIS PISTILS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2011-05-12 US disclosed
US-20110111959-A1 POLLEN TUBE STIMULANTS FROM ARABIDOPSIS PISTILS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2011-05-12 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 US disclosed
EP-1216247-B1 IMIDAZOIMIDAZOLES AND TRIAZOLES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2008-11-05 EP disclosed
US-20080269204-A1 Compounds and Methods of Use Thereof DYAKONOV TATYANA 2008-10-30 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 (8 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-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A FAAH 2243/4885PHGDH 2507/4885MGLL 2944/4885
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C FAAH 383/4885PHGDH 703/4885MGLL 3972/4885
US-20110111959-A1 POLLEN TUBE STIMULANTS FROM ARABIDOPSIS PISTILS MYB, GFM1, GET3 FAAH 1180/4885PHGDH 3329/4885MGLL 1248/4885
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C FAAH 371/4885PHGDH 669/4885MGLL 3921/4885
US-20080269204-A1 Compounds and Methods of Use Thereof TNF, LITAF, TNFRSF1A FAAH 1719/4885PHGDH 2584/4885MGLL 1294/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 FAAH 1394/4885PHGDH 2183/4885MGLL 1022/4885
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 FAAH 1848/4885PHGDH 478/4885MGLL 2876/4885
US-20080319044-A1 Compounds and Methods of Use Thereof TNF, LITAF, LTA FAAH 1284/4885PHGDH 2772/4885MGLL 2119/4885

“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.