SCHEMBL15868151

SCHEMBL15868151

CCOC(=O)c1cc(-c2ccc(Br)cc2C)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FAAH O00519 2/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
SMAD3 P84022 2/20 0.43
APAF1 O14727 1/20 0.43
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA1 P14867 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRA6 Q16445 1/20 0.41
KDM1A O60341 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ELANE P08246 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL15868122 0.90 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1FAAHMMP2MMP13
SCHEMBL14799971 0.87 MMP13 (0.48) SMN1; SMN2FAAHMMP2MMP13MMP14
SCHEMBL17319167 0.87 MMP2 (0.44) SMN1; SMN2ALDH1A1FAAHMMP2MMP13
SCHEMBL15868135 0.85 FAAH (0.44) SMN1; SMN2ALDH1A1FAAHMMP2MMP13
SCHEMBL15868155 0.84 MAPT (0.44) SMN1; SMN2ALDH1A1FAAHMMP2MMP13
SCHEMBL15869833 0.84 FAAH (0.49) ALDH1A1FAAHMMP2MMP13MMP14
SCHEMBL4692320 0.83 FAAH (0.58) SMN1; SMN2ALDH1A1FAAHMMP2MMP13
SCHEMBL21607458 0.83 FAAH (0.41) SMN1; SMN2ALDH1A1FAAHMMP2MMP13
SCHEMBL15884059 0.83 FAAH (0.41) SMN1; SMN2ALDH1A1FAAHMMP2MMP13
SCHEMBL15884043 0.81 SCN9A (0.42) SMN1; SMN2ALDH1A1FAAHMMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206136-B2 Pyrazolyl-based carboxamides I Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-9206136-B2 Pyrazolyl-based carboxamides I Grünenthal GmbH (DE) 2015-12-08 US disclosed
WO-2014108337-A1 PYRAZOLYL-BASED CARBOXAMIDES I AS CRAC CHANNEL INHIBITORS Grünenthal GmbH (DE) 2014-07-17 WO disclosed
US-20140194443-A1 Pyrazolyl-Based Carboxamides I Grünenthal GmbH (DE) 2014-07-10 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 (1 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-20140194443-A1 Pyrazolyl-Based Carboxamides I AADAC, HDAC3, NLRP3 SMN1; SMN2 3637/4885ALDH1A1 1740/4885FAAH 1038/4885

“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.