SCHEMBL29628873

SCHEMBL29628873

O=C(O)c1cccc(F)c1-n1nccn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.50
HCRTR1 O43613 17/20 0.47
HCRTR2 O43614 14/20 0.47
CYP1A2 P05177 1/20 0.47
KCNH2 Q12809 1/20 0.47
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL1586067 1.00 ALB (0.50) ALBHCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL27883288 0.88 HCRTR1 (0.48) HCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL19484323 0.85 ALDH1A1 (0.52) HCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL16025392 0.85 HCRTR1 (0.49) HCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL18594639 0.81 HCRTR1 (0.46) HCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL17071975 0.81 HCRTR1 (0.46) HCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL17069765 0.81 HCRTR1 (0.46) HCRTR1HCRTR2CYP1A2KCNH2
SCHEMBL1652413 0.81 ALDH1A1 (0.45) HCRTR2NAPRT
SCHEMBL31175258 0.79 KDM4E (0.50) HCRTR1HCRTR2
SCHEMBL16277609 0.79 CES2 (0.41) ALBHCRTR1HCRTR2CYP1A2NAPRT

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
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-11324724-B2 N-(2,2-difluoroethyl)-N-[(pyrimidinylamino)propanyl]arylcarboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-10 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-11324724-B2 N-(2,2-difluoroethyl)-N-[(pyrimidinylamino)propanyl]arylcarboxamides HCRTR2, HCRTR1, CNR2 ALB 4368/4885HCRTR1 2/4885HCRTR2 1/4885

“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.