SCHEMBL4152259

SCHEMBL4152259

C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 1.00
KCNH2 Q12809 1/20 1.00
DHODH Q02127 1/20 0.52
CDC42 P60953 1/20 0.47
MAPT P10636 3/20 0.45
RB1 P06400 6/20 0.45
BRD3 Q15059 2/20 0.44
GAA P10253 1/20 0.44
CASP6 P55212 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4165909 1.00 CYP2D6 (1.00) CYP2D6KCNH2DHODHCDC42MAPT
SCHEMBL4199175 1.00 CYP2D6 (1.00) CYP2D6KCNH2DHODHCDC42MAPT
SCHEMBL4188755 1.00 CYP2D6 (1.00) CYP2D6KCNH2DHODHCDC42MAPT
SCHEMBL4166009 1.00 CYP2D6 (1.00) CYP2D6KCNH2DHODHCDC42MAPT
SCHEMBL4197054 1.00 CYP2D6 (1.00) CYP2D6KCNH2DHODHCDC42MAPT
SCHEMBL22135750 1.00 CYP2D6 (1.00) CYP2D6KCNH2DHODHCDC42MAPT
Hydrochloric Acid SCHEMBL4162228 0.99 CYP2D6 (0.98) CYP2D6KCNH2DHODHCDC42MAPT
Hydrochloric Acid SCHEMBL4149707 0.99 CYP2D6 (0.98) CYP2D6KCNH2DHODHCDC42MAPT
Hydrochloric Acid SCHEMBL4167445 0.99 CYP2D6 (0.98) CYP2D6KCNH2DHODHCDC42MAPT
Hydrochloric Acid SCHEMBL4162012 0.99 CYP2D6 (0.98) CYP2D6KCNH2DHODHCDC42MAPT

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 14 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
CN-114173780-A Compounds for reducing the deleterious activity of genes containing extended nucleotide repeats 小利兰·斯坦福大学托管委员会 2022-03-11 CN disclosed
US-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-03-03 US disclosed
WO-2020131573-A1 COMPOUNDS FOR THE REDUCTION OF THE DELETERIOUS ACTIVITY OF EXTENDED NUCLEOTIDE REPEAT CONTAINING GENES NUREDIS, INC. (US) 2020-06-25 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-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
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles SMITHKLINE BEECHAM CORPORATION 2006-12-14 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 (3 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 4356/4885DHODH 103/4885
US-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RTCB, RRM2B CYP2D6 3475/4885KCNH2 4714/4885DHODH 332/4885
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles BCCIP, TP53, TOP2B CYP2D6 3945/4885KCNH2 3846/4885DHODH 2239/4885

“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.