SCHEMBL4194096

SCHEMBL4194096

Fc1ccc(CNC2CCCc3c2[nH]c2ccc(Br)cc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
BRD3 Q15059 11/20 0.57
KCNH2 Q12809 1/20 0.53
PRMT5 O14744 2/20 0.53
GAA P10253 1/20 0.49
CASP6 P55212 1/20 0.49
DHODH Q02127 1/20 0.49
CDC42 P60953 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
RB1 P06400 1/20 0.45

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
Hydrochloric Acid SCHEMBL4156764 0.99 BRD3 (0.58) CYP2D6BRD3KCNH2PRMT5GAA
SCHEMBL5461722 0.91 BRD3 (0.49) CYP2D6BRD3KCNH2PRMT5GAA
SCHEMBL5468025 0.91 BRD3 (0.67) BRD3PRMT5GAACASP6CDC42
SCHEMBL22135792 0.89 CYP2D6 (0.58) CYP2D6BRD3KCNH2PRMT5GAA
SCHEMBL22135763 0.89 CYP2D6 (0.58) CYP2D6BRD3KCNH2PRMT5GAA
SCHEMBL22118689 0.89 CYP2D6 (0.58) CYP2D6BRD3KCNH2PRMT5GAA
SCHEMBL22135878 0.89 CYP2D6 (0.58) CYP2D6BRD3KCNH2PRMT5GAA
SCHEMBL22135938 0.89 CYP2D6 (0.58) CYP2D6BRD3KCNH2PRMT5GAA
SCHEMBL22135863 0.89 CYP2D6 (0.58) CYP2D6BRD3KCNH2PRMT5GAA
SCHEMBL22135926 0.89 GAA (0.60) CYP2D6BRD3KCNH2PRMT5GAA

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
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 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-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2D6 994/4885BRD3 4059/4885KCNH2 4356/4885

“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.