SCHEMBL5774088

SCHEMBL5774088

CN1CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 4/20 0.54
POLB P06746 1/20 0.54
TP53 P04637 2/20 0.51
MC4R P32245 1/20 0.50
DHFR P00374 1/20 0.49
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
BRS3 P32247 1/20 0.47
C5AR1 P21730 1/20 0.46
HSP90AB1 P08238 1/20 0.45

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
SCHEMBL2913559 0.90 MEN1 (0.57) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL17984887 0.89 MEN1 (0.56) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2913307 0.86 TMEM97 (0.60) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL17985354 0.84 MEN1 (0.52) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL12706737 0.80 MEN1 (0.61) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL29883119 0.79 KMT2A (0.63) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL1038680 0.79 KMT2A (0.63) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL5776313 0.78 MEN1 (0.53) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL16217190 0.78 MEN1 (0.59) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL16220609 0.78 MEN1 (0.61) MEN1KMT2ANPC1RAB9ATP53

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 MEN1 1661/4885KMT2A 3583/4885NPC1 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.