SCHEMBL21577667

SCHEMBL21577667

CC(C)N1CCN(CCC(C)N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
KDM1A O60341 1/20 0.40
DAO P14920 1/20 0.37
MAOB P27338 4/20 0.36
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL23384522 0.82 HTR7 (0.48) HRH3KDM1ADAOMAOBHTR7
SCHEMBL29345065 0.81 MEN1 (0.41) HRH3KDM1ADAOMAOBKDM4E
SCHEMBL23384265 0.81 HRH3 (0.49) HRH3KDM1ADAOMAOBHTR7
SCHEMBL25700799 0.79 KDM4E (0.40) KDM1AKDM4EMEN1KMT2ASIGMAR1
SCHEMBL23384009 0.79 HTR7 (0.49) HRH3KDM1ADAOMAOBHTR7
SCHEMBL732901 0.79 DAO (0.47) HRH3KDM1ADAOMAOBHTR7
SCHEMBL22358056 0.79 SIGMAR1 (0.38) HRH3HTR7KDM4EMEN1KMT2A
SCHEMBL25861594 0.78 HTR7 (0.32) HRH3KDM1ADAOHTR7KDM4E
SCHEMBL25567948 0.78 SIGMAR1 (0.43) HRH3KDM1ADAOMAOBHTR7
SCHEMBL27271191 0.78 HRH3 (0.58) HRH3DAOMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250063-A1 PYRAZOLONE FORMYL PEPTIDE 2 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-08-10 US disclosed
US-10654832-B2 3-(benzoimidazol-2-YL)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof SAMUMED, LLC (US) 2020-05-19 US disclosed
US-20190352279-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2019-11-21 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-20190352279-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A HRH3 3135/4885KDM1A 4010/4885DAO 3290/4885
US-10654832-B2 3-(benzoimidazol-2-YL)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof WNT1, WNT3, WNT3A HRH3 3135/4885KDM1A 4010/4885DAO 3290/4885
US-20230250063-A1 PYRAZOLONE FORMYL PEPTIDE 2 RECEPTOR AGONISTS FPR2, FPR1, FPR3 HRH3 1018/4885KDM1A 4705/4885DAO 1685/4885

“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.