SCHEMBL5777981

SCHEMBL5777981

COC1CCN(Cc2ccc3c(n2)CCN(Cc2ccccc2)C3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
C5AR1 P21730 1/20 0.46
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
DHFR P00374 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ROCK2 O75116 1/20 0.43
CCR2 P41597 1/20 0.43
ROCK1 Q13464 1/20 0.43
ACHE P22303 2/20 0.43
EHMT2 Q96KQ7 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD4 P21917 1/20 0.42
ADRA1D P25100 1/20 0.42

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
SCHEMBL16217190 0.80 MEN1 (0.59) MEN1KMT2ANPC1RAB9AC5AR1
SCHEMBL5777554 0.80 MEN1 (0.53) MEN1KMT2ANPC1RAB9AC5AR1
SCHEMBL8096431 0.78 ACHE (0.66) MEN1KMT2AACHEDRD4DRD3
SCHEMBL5776892 0.78 MEN1 (0.59) MEN1KMT2ANPC1RAB9AC5AR1
SCHEMBL6813463 0.77 MEN1 (0.55) MEN1KMT2ANPC1RAB9AC5AR1
SCHEMBL4766452 0.77 MEN1 (0.57) MEN1KMT2ANPC1RAB9AC5AR1
SCHEMBL5775010 0.76 MEN1 (0.52) MEN1KMT2ANPC1RAB9AC5AR1
SCHEMBL5776677 0.75 FAAH (0.45) C5AR1PRMT5WDR77ROCK1ACHE
SCHEMBL12706737 0.75 MEN1 (0.61) MEN1KMT2ANPC1RAB9AC5AR1
SCHEMBL2907160 0.74 KMT2A (0.57) MEN1KMT2ANPC1RAB9AC5AR1

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.