SCHEMBL3278976

SCHEMBL3278976

O=C(O)N1C(=O)N(C2CCNCC2)CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.53
HTR2B P41595 5/20 0.53
HTR2A P28223 2/20 0.47
PARP1 P09874 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.40
PLAT P00750 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
NOTUM Q6P988 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL3279312 0.87 PARP1 (0.49) HTR2CHTR2BHTR2APARP1NOTUM
SCHEMBL15144720 0.82 HTR2C (0.56) HTR2CHTR2BHTR2APLATNOS3
SCHEMBL2709111 0.80 HTR2C (0.77) HTR2CHTR2BHTR2AALDH1A1NOS3
Hydrochloric Acid SCHEMBL3947175 0.79 HTR2C (0.75) HTR2CHTR2BHTR2ANOS3NOS1
Trifluoroacetic Acid SCHEMBL6246336 0.72 HTR2C (0.64) HTR2CHTR2BHTR2ATSHRALDH1A1
SCHEMBL30015409 0.72 HTR2C (0.61) HTR2CHTR2BHTR2APARP1
SCHEMBL2675232 0.72 OPRM1 (0.52) HTR2CHTR2BTSHRALDH1A1HPGD
SCHEMBL723359 0.72 HTR2C (0.61) HTR2CHTR2BHTR2APARP1
SCHEMBL15202984 0.72 HTR2C (0.77) HTR2CHTR2BHTR2ANOS3NOS1
SCHEMBL5871428 0.72 HTR2C (0.83) HTR2CHTR2BHTR2AALDH1A1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 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-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA HTR2C 176/4885HTR2B 65/4885HTR2A 150/4885

“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.