SCHEMBL5365785

SCHEMBL5365785

CSc1ccc(CN2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.59
▸ CXCR4 P61073 9/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ ADRA2C P18825 1/20 0.59
▸ CCR2 P41597 1/20 0.59
▸ CXCL12 P48061 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ ATM Q13315 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ NPC1 O15118 1/20 0.50
▸ NR2F2 P24468 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL9321244 0.83 KCNH2 (0.55) SIGMAR1HRH3
SCHEMBL1259387 0.82 CXCR4 (0.81) SIGMAR1CXCR4MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL5573232 0.82 CXCR4 (0.78) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL13293323 0.81 HRH3 (0.69) MEN1KMT2AHRH3SMN1; SMN2ATM
SCHEMBL24047673 0.81 SIGMAR1 (0.54) SIGMAR1CXCR4MEN1KMT2ACHRM2
Bromide SCHEMBL1257550 0.81 CXCR4 (0.78) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL17830792 0.80 SMN1; SMN2 (0.71) SIGMAR1MEN1KMT2ASMN1; SMN2ATM
SCHEMBL25967979 0.80 ALDH1A1 (0.65) MEN1KMT2ASMN1; SMN2ATMKDM4E
SCHEMBL2927387 0.79 SIGMAR1 (0.66) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL245919 0.79 CXCR4 (0.81) SIGMAR1CXCR4MEN1KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 — — EP disclosed
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 — — US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 — — EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 — — US disclosed
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 — — US disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 — — US disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 — — EP disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 — — US disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 — — 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 (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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 SIGMAR1 61/4885CXCR4 134/4885MEN1 4596/4885

“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.

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