SCHEMBL12656140

SCHEMBL12656140

CCN1CCc2c(C)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
HRH3 Q9Y5N1 1/20 0.45
CNR2 P34972 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.37
RORC P51449 1/20 0.37
USP2 O75604 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
SCHEMBL5905917 0.81 NOTUM (0.47) NOTUMCNR2HTR2CHTR2BDRD2
SCHEMBL13228227 0.80 NOTUM (0.53) NOTUMHRH3CNR2HTR2CDRD2
SCHEMBL2271564 0.80 HRH3 (0.41) HRH3DRD2
Bromide SCHEMBL6844504 0.79 HRH3 (0.40) HRH3DRD2
SCHEMBL16202642 0.77 HRH3 (0.39) HRH3CNR2HTR2CHTR2BTSHR
SCHEMBL28757155 0.77 NOTUM (0.55) NOTUMHRH3HTR2CHTR2BDRD2
SCHEMBL2632888 0.77 NOTUM (0.55) NOTUMHRH3
SCHEMBL12060710 0.77 HTR2A (0.48) HRH3HTR2CHTR2BDRD2DRD4
SCHEMBL24783861 0.76 DRD3 (0.51) HRH3HTR2CDRD2DRD4MAPK1
SCHEMBL24783010 0.76 NOTUM (0.56) NOTUMHRH3HTR2CHTR2BDRD2

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-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 WO disclosed
EP-2316829-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 NOTUM 3868/4885HRH3 1444/4885CNR2 4061/4885
US-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK NOTUM 3388/4885HRH3 1417/4885CNR2 3911/4885

“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.