SCHEMBL5100536

SCHEMBL5100536

C=CCOC[C@H](N)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 2/20 0.35
ROCK2 O75116 3/20 0.34
SCN10A Q9Y5Y9 4/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
GAA P10253 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
BACE1 P56817 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL5109543 0.84 CYP1A2 (0.40) TAAR1CYP1A2ROCK2SCN10AKDM4E
SCHEMBL5110751 0.83 TAAR1 (0.42) TAAR1CYP1A2ROCK2SCN10AKDM4E
SCHEMBL6525600 0.83 TAAR1 (0.42) TAAR1CYP1A2ROCK2SCN10AKDM4E
SCHEMBL4162306 0.82 TAAR1 (0.43) TAAR1CYP1A2ROCK2SCN10AKDM4E
SCHEMBL583539 0.82 TAAR1 (0.43) TAAR1CYP1A2ROCK2SCN10AKDM4E
SCHEMBL1479674 0.82 TAAR1 (0.43) TAAR1CYP1A2ROCK2SCN10AKDM4E
SCHEMBL5097390 0.82 HSD17B10 (0.39) TAAR1CYP1A2ROCK2SCN10AKDM4E
SCHEMBL5110665 0.80 TAAR1 (0.36) TAAR1CYP1A2ROCK2SCN10AKDM4E
SCHEMBL6529465 0.80 TAAR1 (0.36) TAAR1CYP1A2ROCK2SCN10AKDM4E
SCHEMBL4166302 0.80 TACR1 (0.47) TAAR1ROCK2SCN10AKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TAAR1 745/4885CYP1A2 48/4885ROCK2 2940/4885

“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.