SCHEMBL3256203

SCHEMBL3256203

S=C1N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
GUSB P08236 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL3256205 1.00 HTR3A (0.41) HTR3AKMT2AGAAALDH1A1LMNA
SCHEMBL13567612 0.76 ALDH1A1 (0.44) HTR3AKMT2AALDH1A1LMNACYP2A6
SCHEMBL3256902 0.76 KMT2A (0.50) KMT2AGAAALDH1A1LMNAMEN1
SCHEMBL3259222 0.75 MEN1 (0.47) KMT2AALDH1A1MEN1RAB9AKDM4E
SCHEMBL10783623 0.74 MEN1 (0.52) HTR3AKMT2AALDH1A1LMNACYP2A6
SCHEMBL13567641 0.73 CHRNB2 (0.43) KMT2AALDH1A1MEN1HPGDTDP1
SCHEMBL11043371 0.71 KMT2A (0.36) HTR3AKMT2AGAAALDH1A1MEN1
SCHEMBL11262744 0.71 ALDH1A1 (0.55) KMT2AGAAALDH1A1LMNAMEN1
SCHEMBL10618877 0.70 ALDH1A1 (0.40) HTR3AKMT2AGAAALDH1A1LMNA
SCHEMBL10618890 0.70 ALDH1A1 (0.40) HTR3AKMT2AGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
US-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 US disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 US disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US disclosed
US-4308277-A IMMUNOREGULATORY, ANTITHROMBOTIC, ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1981-12-29 US disclosed
EP-0008073-A1 Thio-substituted diazacycloalkenes, their preparation and their pharmaceutical compositions CIBA-GEIGY AG (CH) 1980-02-20 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 (5 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 HTR3A 494/4885KMT2A 2635/4885GAA 871/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 HTR3A 494/4885KMT2A 2635/4885GAA 871/4885
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 HTR3A 461/4885KMT2A 3229/4885GAA 4232/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 HTR3A 206/4885KMT2A 2807/4885GAA 106/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 HTR3A 461/4885KMT2A 3229/4885GAA 4232/4885

“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.