SCHEMBL5777961

SCHEMBL5777961

c1ccc(CN2CCc3nc(NCCN4CCCC4)ccc3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
CFTR P13569 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
DHFR P00374 1/20 0.46
ACHE P22303 2/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
CLPP Q16740 1/20 0.44
DRD3 P35462 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
SCHEMBL5776650 0.83 MEN1 (0.50) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL5771925 0.81 KMT2A (0.57) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL2910250 0.81 MEN1 (0.52) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL2910881 0.80 KMT2A (0.54) MEN1NPC1RAB9AKMT2ADHFR
SCHEMBL5777641 0.78 NPC1 (0.49) MEN1NPC1RAB9AKMT2ACFTR
SCHEMBL28169874 0.78 RAB9A (0.54) MEN1NPC1RAB9AKMT2ADHFR
SCHEMBL3390108 0.76 HRH3 (0.61) MEN1NPC1RAB9AKMT2AHRH3
SCHEMBL2913559 0.76 MEN1 (0.57) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL1038680 0.75 KMT2A (0.63) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL29883119 0.75 KMT2A (0.63) SIGMAR1MEN1NPC1RAB9AKMT2A

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 SIGMAR1 795/4885MEN1 1661/4885NPC1 468/4885

“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.