SCHEMBL1927705

SCHEMBL1927705

OC1CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.55
CCR5 P51681 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
HRH3 Q9Y5N1 3/20 0.51
ACHE P22303 2/20 0.51
POLB P06746 1/20 0.51
CHRM2 P08172 3/20 0.51
CHRM3 P20309 3/20 0.51
TNIK Q9UKE5 1/20 0.50
LTA4H P09960 2/20 0.49
BCHE P06276 1/20 0.49
BACE1 P56817 1/20 0.49

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
SCHEMBL4772746 0.95 HRH3 (0.57) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL1239295 0.89 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL1239292 0.89 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL1241903 0.89 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL12642582 0.83 RAB9A (0.60) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL4141085 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL4591942 0.83 KDM4E (0.59) ALDH1A1KDM4ECCR5SIGMAR1HRH3
SCHEMBL24495209 0.82 SPHK1 (0.63) SIGMAR1HRH3ACHELTA4H
SCHEMBL4592063 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ESIGMAR1HRH3ACHE
SCHEMBL1244075 0.82 ALDH1A1 (0.73) ALDH1A1KDM4ECYP2D6NPC1SIGMAR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018154-A1 NEW INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-18 US disclosed
US-20240018154-A1 NEW INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-18 US disclosed
US-20240018154-A1 NEW INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-18 US disclosed
EP-4255906-A1 NEW INDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-10-11 EP disclosed
CN-116600806-A Indazole derivatives 豪夫迈·罗氏有限公司 2023-08-15 CN disclosed
WO-2022117487-A1 NEW INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-09 WO disclosed
WO-2022117487-A1 NEW INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-09 WO disclosed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
CN-1541214-A Novel compounds 2004-10-27 CN disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO disclosed
CN-1084329-C Benzyl piepridine derivs as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2002-05-08 CN disclosed
EP-0871613-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-10-21 EP disclosed
CN-1183768-A Benzyl piepridine derivs as pharmaceutical agents HOFFMANN LA ROCHE (CH) 1998-06-03 CN disclosed
US-5753679-A SCIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1998-05-19 US disclosed
WO-1996035666-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 1996-11-14 WO 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-20240018154-A1 NEW INDAZOLE DERIVATIVES CYP3A43, CYP3A4, CYP3A5 ALDH1A1 364/4885KDM4E 2371/4885RAB9A 1578/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 ALDH1A1 52/4885KDM4E 630/4885RAB9A 319/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 ALDH1A1 229/4885KDM4E 665/4885RAB9A 1662/4885

“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.