SCHEMBL21982590

SCHEMBL21982590

CN(C)CCNC1CCC2(CC1)Nc1ccccc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 2/20 0.36
▸ PRMT6 Q96LA8 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.34
▸ ACAT2 Q9BWD1 1/20 0.34
▸ OPRM1 P35372 4/20 0.32
▸ OPRL1 P41146 4/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ VCP P55072 1/20 0.32
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL17757906 0.88 TAAR1 (0.35) TAAR1ACAT2CCNT1ACHEBACE1
SCHEMBL17758093 0.87 ACAT2 (0.33) CARM1PRMT6TAAR1ACAT2CCNT1
SCHEMBL17757427 0.86 ACAT2 (0.37) CARM1PRMT6ACAT2CCNT1ACHE
SCHEMBL17757477 0.86 TAAR1 (0.36) TAAR1ACAT2BRD4
SCHEMBL17757883 0.86 ACAT2 (0.36) TAAR1ACAT2CCNT1ACHEBACE1
SCHEMBL17757474 0.86 MAOB (0.37) ACAT2CCNT1ACHEBACE1
SCHEMBL17758082 0.85 EPHX2 (0.41) OPRM1OPRL1
SCHEMBL17757886 0.84 ACAT2 (0.42) ACAT2CCNT1
SCHEMBL17758095 0.84 CCNT1 (0.33) CARM1PRMT6ACAT2CCNT1ACHE
SCHEMBL17757433 0.84 ACAT2 (0.33) TAAR1ACAT2CCNT1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 — — 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CARM1 3360/4885PRMT6 4009/4885TAAR1 465/4885

“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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