SCHEMBL123650

SCHEMBL123650

c1ccc2c3c(ccc2c1)CNCC3

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.49
PNMT P11086 4/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HTR5A P47898 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
NR2E1 Q9Y466 1/20 0.46
TAAR1 Q96RJ0 1/20 0.41
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2562691 0.85 PNMT (0.58) CD44PNMTMAOBTAAR1PARP1
SCHEMBL1938502 0.82 LMNA (0.46) PNMTLMNA
SCHEMBL54652 0.76 ALDH1A1 (0.50) KDM4ELMNA
SCHEMBL29481017 0.76 ALDH1A1 (0.50) KDM4ELMNA
SCHEMBL9094448 0.74 LMNA (0.40) PNMTKDM4ELMNA
SCHEMBL11629542 0.73 CD44 (0.47) CD44PNMTMAOBKDM4EHTR5A
SCHEMBL29508231 0.72 HSD17B10 (0.46) KDM4E
SCHEMBL4298702 0.72 HSD17B10 (0.46) HTR5ANISCHLMNA
SCHEMBL322439 0.72 KIF11 (0.49) KDM4E
SCHEMBL29853815 0.72 KIF11 (0.49) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058954-A1 Diaza Heterocyclic Compounds for Phototherapy OCERA THERAPEUTICS LLC 2012-03-08 US disclosed
EP-0750614-B1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI CHEM PHARM (CH) 2001-05-23 EP disclosed
EP-1021415-A1 TRICYCLIC AMINOALKYLCARBOXAMIDES; NOVEL DOPAMINE D 3? RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-07-26 EP disclosed
US-5910586-A Tricyclic aminoalkylcarboxamides; dopamine D3 receptor subtype specific ligands NEUROGEN CORPORATION (US) 1999-06-08 US disclosed
US-5798362-A USEFUL AS ALPHA-ADRENORECEPTOR BLOCKERS; CONDENSATION RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1998-08-25 US disclosed
US-5688950-A NERVOUS SYSTEM DISORDERS, SIDE EFFECT REDUCTION NEUROGEN CORPORATION (US) 1997-11-18 US disclosed
WO-1997040015-A1 TRICYCLIC AMINOALKYLCARBOXAMIDES; NOVEL DOPAMINE D3 RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1997-10-30 WO disclosed
EP-0803505-A1 Inhibitors of metalloproteases, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 EP disclosed
EP-0750614-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1997-01-02 EP disclosed
WO-1995025726-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING α-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-09-28 WO disclosed
US-4824852-A Substituted indole compounds which have useful effects on the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-25 US disclosed
US-4740602-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-26 US disclosed
EP-0206225-A2 Indole derivatives MERCK PATENT GmbH (DE) 1986-12-30 EP 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-20120058954-A1 Diaza Heterocyclic Compounds for Phototherapy BAD, BID, CASP3 CD44 3095/4885PNMT 2317/4885MAOB 2799/4885

“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.