SCHEMBL5111361

SCHEMBL5111361

NC(Cc1ccccc1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.47
TAAR1 Q96RJ0 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
PRCP P42785 1/20 0.41
PYGL P06737 3/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 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
SCHEMBL5103889 0.92 ROCK2 (0.52) ROCK2TAAR1KDM4ERAB9APRCP
SCHEMBL5100973 0.88 ROCK2 (0.46) ROCK2TAAR1OPRM1OPRD1CTDSP1
SCHEMBL5096757 0.87 ROCK2 (0.48) ROCK2TAAR1KDM4ERAB9APRCP
SCHEMBL5096923 0.87 ROCK2 (0.46) ROCK2TAAR1OPRM1OPRD1CTDSP1
SCHEMBL5110919 0.86 ROCK2 (0.46) ROCK2TAAR1OPRM1OPRD1CTDSP1
SCHEMBL5103917 0.86 TACR1 (0.47) ROCK2TAAR1OPRM1OPRD1CTDSP1
SCHEMBL4166302 0.86 TACR1 (0.47) ROCK2TAAR1OPRM1OPRD1CTDSP1
Hydrochloric Acid SCHEMBL17910783 0.86 ROCK2 (0.45) ROCK2TAAR1KDM4ERAB9APRCP
SCHEMBL5110023 0.84 ROCK2 (0.41) ROCK2TAAR1OPRM1OPRD1CTDSP1
SCHEMBL844020 0.84 ROCK2 (0.47) ROCK2TAAR1PRCPCYP1A2CYP3A4

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 5 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
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US 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 (2 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 2940/4885TAAR1 745/4885OPRM1 500/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 ROCK2 3222/4885TAAR1 606/4885OPRM1 318/4885

“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.