SCHEMBL5776366

SCHEMBL5776366

CN(C)Cc1ccc2c(n1)CCNC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
HTR2C P28335 3/20 0.37
PNMT P11086 4/20 0.34
CD44 P16070 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2B P41595 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR2A P28223 1/20 0.33
HTR6 P50406 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33

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
Hydrochloric Acid SCHEMBL31014049 0.84 KDM4E (0.30)
SCHEMBL31066342 0.82 HRH3 (0.40) CYP3A4HTR2CPNMTCD44MAOB
SCHEMBL5777544 0.82 PARP1 (0.33) CYP3A4HTR2C
SCHEMBL16217182 0.82 CYP3A4 (0.41) CYP3A4HTR2CPNMTCD44MAOB
SCHEMBL23530014 0.79 CYP3A4 (0.44) CYP3A4HTR2CPNMTCD44MAOB
SCHEMBL29549874 0.79 CYP3A4 (0.44) CYP3A4HTR2CPNMTCD44MAOB
SCHEMBL16168344 0.78 HTR2C (0.44) CYP3A4HTR2CPNMTCD44MAOB
Hydrochloric Acid SCHEMBL2913328 0.78 HTR2C (0.40) CYP3A4HTR2CPNMTCD44MAOB
Hydrochloric Acid SCHEMBL2912094 0.77 HTR2C (0.43) CYP3A4HTR2CPNMTCD44MAOB
SCHEMBL16210108 0.76 CYP3A4 (0.41) CYP3A4HTR2CPNMTCD44MAOB

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 4 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-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists PFIZER INC 2004-07-08 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 (2 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 CYP3A4 273/4885HTR2C 296/4885PNMT 1504/4885
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists ADRA1A, ADRA1D, ADRB1 CYP3A4 1911/4885HTR2C 791/4885PNMT 1780/4885

“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.