SCHEMBL2632997

SCHEMBL2632997

CC(C)N1CCc2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
CNR2 P34972 1/20 0.43
ROCK1 Q13464 1/20 0.42
SLC6A2 P23975 6/20 0.41
SLC6A4 P31645 6/20 0.41
ALDH1A1 P00352 3/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EIF4E P06730 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TRPA1 O75762 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL12382109 0.90 NOTUM (0.46) NOTUMCNR2ROCK1ALDH1A1HTR2C
SCHEMBL10311201 0.86 CHRM2 (0.42) NOTUMCNR2ROCK1SLC6A2SLC6A4
SCHEMBL13180773 0.83 NOTUM (0.48) NOTUMCNR2ROCK1SLC6A2SLC6A4
SCHEMBL10311207 0.83 NOTUM (0.50) NOTUMCNR2ROCK1SLC6A2SLC6A4
SCHEMBL13180881 0.80 NOTUM (0.51) NOTUMSLC6A2SLC6A4ALDH1A1HTR2C
SCHEMBL6687350 0.80 NOTUM (0.55) NOTUMCNR2ROCK1SLC6A2SLC6A4
SCHEMBL4926293 0.79 NOTUM (0.47) NOTUMCNR2ROCK1SLC6A2SLC6A4
SCHEMBL24077067 0.79 NOTUM (0.47) NOTUMALDH1A1HTTALOX15
SCHEMBL14474334 0.79 NOTUM (0.47) NOTUMROCK1HTR2CHTR2BNPC1
SCHEMBL21725584 0.79 NOTUM (0.53) NOTUMROCK1SLC6A2SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
US-8481731-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110021491-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 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-20110021491-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO SLC10A1, NPY4R, CYP4B1 NOTUM 985/4885CNR2 474/4885ROCK1 1599/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 NOTUM 1676/4885CNR2 480/4885ROCK1 2469/4885

“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.