SCHEMBL12413671

SCHEMBL12413671

CC(C)C(=O)N1CCC(CCN)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
EPHX2 P34913 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL12413676 0.85 NCF1 (0.47) FAAHCHRM2CHRM1CHRM3EPHX2
SCHEMBL17130398 0.85 EPHX2 (0.52) EPHX2DPP8DPP7
SCHEMBL18513691 0.84 FAAH (0.48) FAAHEPHX2MEN1ALDH1A1KMT2A
SCHEMBL25075230 0.82 GNAI3 (0.51) FAAHEPHX2MEN1ALDH1A1KMT2A
SCHEMBL621434 0.79 MEN1 (0.44) FAAHEPHX2MEN1ALDH1A1KMT2A
SCHEMBL1753627 0.79 EPHX2 (0.53) FAAHEPHX2MEN1ALDH1A1KMT2A
SCHEMBL6043115 0.79 CHRM2 (0.44) CHRM2CHRM1CHRM3EPHX2F2
SCHEMBL23560471 0.79 FAAH (0.51) FAAHMEN1ALDH1A1KMT2ATP53
SCHEMBL13459957 0.79 DPP7 (0.45) FAAHCHRM2CHRM1CHRM3L3MBTL1
SCHEMBL12414292 0.79 DPP7 (0.45) FAAHCHRM2CHRM1CHRM3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
WO-2015148954-A1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EICOSIS, LLC (US) 2015-10-01 WO disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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 (2 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 FAAH 1424/4885CHRM2 493/4885CHRM1 640/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 FAAH 2356/4885CHRM2 1058/4885CHRM1 1348/4885

“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.