SCHEMBL4377737

SCHEMBL4377737

CC(c1ccccc1)c1cnc(NCCc2cccc(C(F)(F)F)c2)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.47
CTSC P53634 1/20 0.45
ROCK1 Q13464 1/20 0.43
HTR2C P28335 3/20 0.43
ADRA2C P18825 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
OPRM1 P35372 2/20 0.43
DRD3 P35462 2/20 0.43
CASR P41180 2/20 0.43
CYP2D6 P10635 2/20 0.43
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
ADRB1 P08588 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
CHRM3 P20309 1/20 0.43
GLRA1 P23415 1/20 0.43
AVPR2 P30518 1/20 0.43

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 0.86 HTR7 (0.53) APPHTR2CADRA2CSLC6A2ADORA3
SCHEMBL4372829 0.81 HTR7 (0.58) APPHTR2CSLC6A2SLC6A4ADORA3
SCHEMBL4377313 0.80 HTR7 (0.47) APPADORA3HTR7TMIGD3ADORA2A
SCHEMBL4377382 0.80 HTR7 (0.56) APPCTSCADORA3HTR7TMIGD3
SCHEMBL4375495 0.79 APP (0.46) APPADORA3HTR7HTR2BTMIGD3
SCHEMBL4381237 0.77 HTR7 (0.67) APPHTR2CADRA2CSLC6A2SLC6A4
SCHEMBL4380401 0.76 HTR7 (0.50) APPHTR2CHTR7CYP1A2CYP2C19
SCHEMBL4376850 0.75 APP (0.52) APPADORA3HTR7TMIGD3ADORA2A
SCHEMBL4377744 0.74 HTR7 (0.53) APPROCK1HTR2CADRA2CSLC6A2
SCHEMBL4374779 0.74 ADORA2A (0.50) HTR2CADORA3HTTHTR7HTR6

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 5 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
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US 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
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 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-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A APP 2310/4885CTSC 1745/4885ROCK1 4127/4885

“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.