SCHEMBL5097388

SCHEMBL5097388

[CH2]CCCNC(=O)c1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.66
CYP1A2 P05177 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.54
EPHX2 P34913 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MPO P05164 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2A6 P11509 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL16469025 0.87 NAAA (0.83) NAAACYP1A2CYP2C19CYP2C9TSHR
SCHEMBL9339173 0.85 MAPT (0.69) NAAACYP1A2CYP2C19CYP2C9TSHR
SCHEMBL3513082 0.84 NAAA (0.68) NAAACYP1A2CYP2C19CYP2C9TSHR
SCHEMBL3513083 0.84 NAAA (0.68) NAAACYP1A2CYP2C19CYP2C9TSHR
SCHEMBL7237253 0.82 NAAA (0.66) NAAACYP1A2CYP2C19CYP2C9TSHR
SCHEMBL3634350 0.82 NAAA (0.87) NAAACYP1A2CYP2C19CYP2C9TSHR
SCHEMBL19133496 0.82 CYP1A2 (0.69) NAAACYP1A2CYP2C19CYP2C9TSHR
SCHEMBL1014753 0.81 NPC1 (0.66) NAAASMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL4443555 0.81 SMN1; SMN2 (0.65) NAAACYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL14660283 0.81 NAAA (0.69) NAAACYP1A2CYP2C19CYP2C9TSHR

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 8 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 claimed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP claimed
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 claimed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO claimed
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 (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 NAAA 126/4885CYP1A2 48/4885CYP2C19 22/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 NAAA 409/4885CYP1A2 49/4885CYP2C19 28/4885

“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.