SCHEMBL5110023

SCHEMBL5110023

N[C@@H](Cc1cc(F)cc(F)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.41
ROCK1 Q13464 2/20 0.39
TAAR1 Q96RJ0 1/20 0.37
AAK1 Q2M2I8 3/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5096757 0.90 ROCK2 (0.48) ROCK2ROCK1TAAR1AAK1KDM4E
SCHEMBL5103889 0.87 ROCK2 (0.52) ROCK2ROCK1TAAR1KDM4ERAB9A
SCHEMBL5111361 0.84 ROCK2 (0.47) ROCK2TAAR1KDM4ERAB9ACYP1A2
SCHEMBL5100973 0.83 ROCK2 (0.46) ROCK2ROCK1TAAR1AAK1KDM4E
SCHEMBL5096923 0.82 ROCK2 (0.46) ROCK2ROCK1TAAR1KDM4ERAB9A
SCHEMBL5109540 0.81 ROCK2 (0.39) ROCK2TAAR1KDM4ERAB9ACYP1A2
SCHEMBL5097313 0.81 ROCK2 (0.44) ROCK2ROCK1AAK1SCN10AS1PR4
Hydrochloric Acid SCHEMBL17910783 0.81 ROCK2 (0.45) ROCK2ROCK1TAAR1KDM4ERAB9A
SCHEMBL12763018 0.81 ROCK2 (0.53) ROCK2ROCK1AAK1
SCHEMBL12836747 0.81 ROCK2 (0.53) ROCK2ROCK1AAK1

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 ROCK2 2940/4885ROCK1 1960/4885TAAR1 745/4885

“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.