SCHEMBL5774404

SCHEMBL5774404

CC(=O)OC(c1ncc2n1CCN(Cc1ccccc1)C2)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.43
COMT P21964 1/20 0.38
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 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
SCHEMBL1994688 0.77 SIGMAR1 (0.42) CALCRLCOMTKMT2AALDH1A1MEN1
SCHEMBL5775595 0.71 SIGMAR1 (0.50) COMTALDH1A1MAPTTSHR
SCHEMBL5773487 0.71 SIGMAR1 (0.46) COMTKMT2AALDH1A1MEN1KDM4E
SCHEMBL5776436 0.70 SIGMAR1 (0.42) COMTKMT2AALDH1A1MEN1MAPT
SCHEMBL1290487 0.70 COMT (0.41) COMTKMT2AALDH1A1MEN1
SCHEMBL1290485 0.70 HTR1A (0.43) COMTALDH1A1
SCHEMBL15648115 0.69 FAAH (0.38) CALCRLCOMTKMT2AALDH1A1KDM4E
SCHEMBL5778759 0.68 SIGMAR1 (0.46) COMTALDH1A1
SCHEMBL1709932 0.68 NPFFR1 (0.45) KMT2AKDM4EMAPK1
SCHEMBL5778612 0.68 SIGMAR1 (0.42) COMTKMT2AALDH1A1MEN1

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 CALCRL 1685/4885COMT 2393/4885KMT2A 3583/4885

“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.