SCHEMBL4189247

SCHEMBL4189247

C[C@@H](NC1CCCc2c1[nH]c1cc(Br)ccc21)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.84
KCNH2 Q12809 1/20 0.84
RB1 P06400 7/20 0.45
DHODH Q02127 1/20 0.42
CDC42 P60953 1/20 0.41
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD3 Q15059 2/20 0.38
CASP6 P55212 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL30455150 1.00 CYP2D6 (0.84) CYP2D6KCNH2RB1DHODHCDC42
SCHEMBL25783965 1.00 CYP2D6 (0.84) CYP2D6KCNH2RB1DHODHCDC42
SCHEMBL25291106 1.00 CYP2D6 (0.84) CYP2D6KCNH2RB1DHODHCDC42
Hydrochloric Acid SCHEMBL4164562 0.99 CYP2D6 (0.82) CYP2D6KCNH2RB1DHODHCDC42
SCHEMBL4166009 0.91 CYP2D6 (1.00) CYP2D6KCNH2RB1DHODHCDC42
SCHEMBL4197054 0.91 CYP2D6 (1.00) CYP2D6KCNH2RB1DHODHCDC42
SCHEMBL4199175 0.91 CYP2D6 (1.00) CYP2D6KCNH2RB1DHODHCDC42
SCHEMBL4188755 0.91 CYP2D6 (1.00) CYP2D6KCNH2RB1DHODHCDC42
SCHEMBL22135750 0.91 CYP2D6 (1.00) CYP2D6KCNH2RB1DHODHCDC42
SCHEMBL4152259 0.91 CYP2D6 (1.00) CYP2D6KCNH2RB1DHODHCDC42

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 6 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
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 994/4885KCNH2 4356/4885RB1 4460/4885

“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.