SCHEMBL12536768

SCHEMBL12536768

COc1cccc(C2CCCNCCN2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.60
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
EED O75530 1/20 0.48
ADRB1 P08588 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
GID4 Q8IVV7 1/20 0.43
PDE10A Q9Y233 3/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6178879 0.91 MEN1 (0.61) HTR2CMEN1KMT2AEEDDDB1
SCHEMBL31494212 0.91 MEN1 (0.61) HTR2CMEN1KMT2AEEDDDB1
SCHEMBL2808985 0.91 MEN1 (0.61) HTR2CMEN1KMT2AEEDDDB1
SCHEMBL3154247 0.87 HTR2C (0.56) HTR2CMEN1KMT2ADDB1CRBN
SCHEMBL13801054 0.85 HTR2C (0.55) HTR2CMEN1KMT2ADDB1CRBN
SCHEMBL1636847 0.84 HTR2C (0.56) HTR2CMEN1KMT2AEEDADRB1
SCHEMBL1637555 0.84 HTR2C (0.56) HTR2CMEN1KMT2AEEDADRB1
SCHEMBL1637389 0.84 HTR2C (0.56) HTR2CMEN1KMT2AEEDADRB1
SCHEMBL12536772 0.82 MEN1 (0.50) HTR2CMEN1KMT2AADRB1GID4
SCHEMBL2863498 0.78 HTR2C (0.69) HTR2CEED

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
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 US disclosed
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 US disclosed
WO-2010015972-A1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LIMITED (GB) 2010-02-11 WO 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-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists MC4R, CHRM4, GPR4 HTR2C 190/4885MEN1 159/4885KMT2A 1449/4885

“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.