SCHEMBL4196180

SCHEMBL4196180

C[C@@H](NC1CCCc2c1[nH]c1ccccc21)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.76
KCNH2 Q12809 1/20 0.76
RB1 P06400 7/20 0.60
BRD3 Q15059 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
CDC42 P60953 1/20 0.45
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR7 P34969 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP6 P55212 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
SCHEMBL25247033 1.00 CYP2D6 (0.76) CYP2D6KCNH2RB1BRD3SIRT2
SCHEMBL30455215 1.00 CYP2D6 (0.76) CYP2D6KCNH2RB1BRD3SIRT2
SCHEMBL25287616 1.00 CYP2D6 (0.76) CYP2D6KCNH2RB1BRD3SIRT2
Hydrochloric Acid SCHEMBL4158280 0.99 CYP2D6 (0.74) CYP2D6KCNH2RB1BRD3SIRT2
SCHEMBL30455685 0.92 CYP2D6 (0.69) CYP2D6KCNH2RB1BRD3SIRT2
SCHEMBL25285965 0.91 CYP2D6 (0.64) CYP2D6KCNH2RB1BRD3SIRT2
SCHEMBL25249451 0.91 CYP2D6 (0.64) CYP2D6KCNH2RB1BRD3SIRT2
SCHEMBL25286477 0.91 CYP2D6 (0.64) CYP2D6KCNH2RB1BRD3SIRT2
SCHEMBL25286478 0.91 CYP2D6 (0.64) CYP2D6KCNH2RB1BRD3SIRT2
SCHEMBL20537338 0.87 CYP2D6 (0.78) CYP2D6KCNH2RB1BRD3SIRT2

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
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO claimed
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.