SCHEMBL17276352

SCHEMBL17276352

CC(C)(C)OC(=O)N1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.58
MC4R P32245 1/20 0.57
MC5R P33032 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
PKM P14618 1/20 0.54
CHKA P35790 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL16855862 1.00 FAAH (0.58) FAAHMC4RMC5RKMT2AMEN1
SCHEMBL17444604 0.88 HRH3 (0.56) FAAHPKM
SCHEMBL10135592 0.85 GPR119 (0.50) KMT2AMEN1
SCHEMBL2862442 0.84 ALDH1A1 (0.60) FAAHKMT2AMEN1
SCHEMBL30803083 0.82 HDAC1 (0.47) FAAHMC4RMC5RKMT2AMEN1
SCHEMBL6791921 0.82 HDAC1 (0.47) FAAHMC4RMC5RKMT2AMEN1
SCHEMBL3588175 0.82 FAAH (0.62) FAAH
SCHEMBL25727259 0.82 IDO1 (0.49)
SCHEMBL11932534 0.82 FAAH (0.57) FAAHKMT2AMEN1CHKA
SCHEMBL27539906 0.82 VEGFA (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 WO disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 WO disclosed
US-20150099765-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating NEUROSOLIS INC (US) 2015-04-09 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 (3 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 FAAH 2/4885MC4R 342/4885MC5R 1034/4885
US-20150099765-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating CHRM3, ACHE, CHRM4 FAAH 775/4885MC4R 1114/4885MC5R 616/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 FAAH 2/4885MC4R 342/4885MC5R 1034/4885

“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.