SCHEMBL2328041

SCHEMBL2328041

COc1ccc(N2CCN(c3ccccc3)C2=O)nc1N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 1/20 0.43
HRH4 Q9H3N8 5/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 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
SCHEMBL2360469 0.90 HRH4 (0.45) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2333076 0.89 HRH4 (0.42) HTR2AHTR2CMEN1KMT2ANPC1
SCHEMBL14733341 0.84 KMT2A (0.47) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2360090 0.81 CYP1A2 (0.43) MEN1KMT2ACYP1A2CYP3A4TSHR
SCHEMBL14733339 0.78 HRH4 (0.45) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2325995 0.77 HTR2C (0.55) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL2333603 0.74 MEN1 (0.41) MEN1KMT2ANPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL2360446 0.73 MEN1 (0.40) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL14733340 0.73 DRD2 (0.43) MEN1KMT2ANPC1RAB9AHRH4
SCHEMBL12445260 0.71 MAPT (0.45) NPC1RAB9ACYP1A2HRH4MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US claimed
EP-2536711-A1 5-HT RECEPTOR MODULATORS Cambridge Enterprise Limited (GB) 2012-12-26 EP claimed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO claimed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
EP-2536711-A1 5-HT RECEPTOR MODULATORS Cambridge Enterprise Limited (GB) 2012-12-26 EP disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A HTR2A 7/4885HTR2C 10/4885HTR2B 4/4885

“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.