SCHEMBL1337896

SCHEMBL1337896

CN(Cc1ccccc1)C(=O)[C@H](N)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
KMT2A Q03164 5/20 0.55
METAP2 P50579 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 3/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
RIPK1 Q13546 1/20 0.45
ANPEP P15144 2/20 0.45
ERAP1 Q9NZ08 2/20 0.45
ERAP2 Q6P179 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL900941 0.84 HPGD (0.69) HPGDKMT2ANPC1RAB9ACA12
Hydrochloric Acid SCHEMBL6165989 0.84 ANPEP (0.47) HPGDKMT2AMETAP2MEN1ANPEP
SCHEMBL8304511 0.84 HPGD (0.59) HPGDKMT2ANPC1RAB9ACA12
Hydrochloric Acid SCHEMBL6165981 0.84 ANPEP (0.47) HPGDKMT2AMETAP2MEN1ANPEP
SCHEMBL7310455 0.84 HPGD (0.52) HPGDKMT2ANPC1RAB9ACA12
Hydrochloric Acid SCHEMBL7452576 0.83 HPGD (0.67) HPGDKMT2ANPC1RAB9ACA12
Hydrochloric Acid SCHEMBL6503199 0.83 HPGD (0.67) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL27598559 0.83 HPGD (0.58) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL13995143 0.81 HPGD (0.60) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL1007950 0.80 HPGD (0.68) HPGDKMT2ANPC1RAB9ACA12

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-8859814-B2 Alpha-substituted N-sulfonyl gylcine amides antagonists of CCR10, compositions containing the same and methods for using them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
EP-2294051-B1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed
US-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2294051-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM Boehringer Ingelheim International GmbH (DE) 2011-03-16 EP disclosed
WO-2009142984-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-26 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-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM CCR10, CCR1, CCR3 HPGD 3315/4885KMT2A 3333/4885METAP2 4475/4885

“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.