SCHEMBL4380401

SCHEMBL4380401

CC(c1ccccc1)c1cnc(NCCc2ccccn2)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.50
HTR2C P28335 1/20 0.50
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 1/20 0.44
OGA O60502 1/20 0.43
FGFR1 P11362 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
APP P05067 2/20 0.42
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK8 P45983 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
IGF1R P08069 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL4373099 0.85 HTR7 (0.53) HTR7HTR2CHRH3APPADORA2A
SCHEMBL4377313 0.82 HTR7 (0.47) HTR7OGAFGFR1APPMAPK8
SCHEMBL4377382 0.81 HTR7 (0.56) HTR7APPADORA2AADORA1
SCHEMBL4374779 0.80 ADORA2A (0.50) HTR7HTR2CADORA2AADORA1IGF1R
SCHEMBL4375495 0.78 APP (0.46) HTR7APPADORA2AADORA1
SCHEMBL4372829 0.78 HTR7 (0.58) HTR7HTR2CAPPADORA2AADORA1
SCHEMBL4372215 0.78 AOC3 (0.44) HTR7TAAR1
SCHEMBL4377737 0.76 APP (0.47) HTR7HTR2CCYP1A2CYP2C19APP
SCHEMBL4380313 0.73 HTR7 (0.76) HTR7HTR2CCYP1A2ALDH1A1CYP2C19
SCHEMBL4373322 0.72 HTR7 (0.50) HTR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP claimed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP claimed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP claimed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US claimed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO claimed
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed
US-6630469-B2 Amino-pyrimidine and amino-triazine derivatives having 5-HT7 antagonist activity for the treatment of sleeping disorders, depression, schizophrenia, anxiety, obsessive compulsive disorders, cicadian rhythm disorders and hypertension BRISTOL-MYERS SQUIBB COMPANY 2003-10-07 US disclosed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 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-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A HTR7 1/4885HTR2C 4/4885CYP1A2 958/4885

“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.