SCHEMBL3104629

SCHEMBL3104629

NCC(=O)N1CCN(c2ccccc2C(=O)Nc2cccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP11B2 P19099 1/20 0.50
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
HSD17B10 Q99714 2/20 0.47
HTR2C P28335 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB3 P13945 1/20 0.47
PTPN11 Q06124 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
NAMPT P43490 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL3105119 0.88 TRPV1 (0.50) TRPV1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3104621 0.86 TRPV1 (0.53) TRPV1ALDH1A1MEN1KMT2AHPGD
SCHEMBL110852 0.85 KMT2A (0.59) TRPV1ALDH1A1MEN1KMT2AHPGD
SCHEMBL14664001 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL13076824 0.81 NAMPT (0.52) TRPV1ALDH1A1MEN1KMT2AHPGD
SCHEMBL111521 0.81 TRPV1 (0.54) TRPV1ALDH1A1MEN1KMT2AHPGD
SCHEMBL110415 0.81 CXCR3 (0.58) TRPV1ALDH1A1MEN1KMT2AHPGD
SCHEMBL112712 0.81 ALDH1A1 (0.56) TRPV1ALDH1A1MEN1KMT2AHPGD
SCHEMBL114005 0.80 HTR2C (0.46) TRPV1ALDH1A1MEN1KMT2AHPGD
SCHEMBL162993 0.80 TRPV1 (0.44) TRPV1ALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 TRPV1 332/4885ALDH1A1 1720/4885MEN1 3298/4885

“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.