SCHEMBL5777544

SCHEMBL5777544

COCCN(C)Cc1ccc2c(n1)CCNC2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTR2C P28335 2/20 0.33
MAP4K4 O95819 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CNR1 P21554 3/20 0.32
KCNH2 Q12809 3/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
LTA4H P09960 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL5776366 0.82 CYP3A4 (0.38) CYP3A4HTR2C
SCHEMBL31066342 0.75 HRH3 (0.40) CYP3A4HTR2CHRH3
SCHEMBL16217182 0.74 CYP3A4 (0.41) CYP3A4HTR2C
SCHEMBL23530014 0.71 CYP3A4 (0.44) CYP3A4HTR2C
SCHEMBL29549874 0.71 CYP3A4 (0.44) CYP3A4HTR2C
SCHEMBL5775010 0.71 MEN1 (0.52) HTR2CDRD3
Hydrochloric Acid SCHEMBL2913328 0.71 HTR2C (0.40) CYP3A4HTR2CDRD2
SCHEMBL16168344 0.71 HTR2C (0.44) CYP3A4HTR2C
Hydrochloric Acid SCHEMBL5773165 0.70 HCAR3 (0.36) CYP3A4
Hydrochloric Acid SCHEMBL2912094 0.70 HTR2C (0.43) CYP3A4HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 PARP1 2114/4885CYP3A4 273/4885HTR2C 296/4885

“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.