SCHEMBL3105110

SCHEMBL3105110

NC(=O)C(=O)N1CCN(c2ccccc2C(=O)Nc2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
TYK2 P29597 3/20 0.48
JAK2 O60674 3/20 0.48
HTT P42858 3/20 0.48
PRKCI P41743 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB3 P13945 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL3104621 0.87 TRPV1 (0.53) TRPV1HTTALDH1A1SMN1; SMN2MEN1
SCHEMBL3105119 0.85 TRPV1 (0.50) TRPV1TYK2JAK2HTTPRKCI
SCHEMBL18426608 0.83 HTT (0.56) TYK2JAK2HTTALDH1A1SMN1; SMN2
SCHEMBL27942187 0.80 PRKCI (0.53) TRPV1TYK2JAK2HTTPRKCI
SCHEMBL111857 0.80 TRPV1 (0.47) TRPV1TYK2JAK2HTTALDH1A1
SCHEMBL3101690 0.77 HSD17B10 (0.55) TRPV1HTTALDH1A1SMN1; SMN2GAA
SCHEMBL111735 0.76 RAB9A (0.47) TRPV1TYK2JAK2HTTALDH1A1
SCHEMBL113050 0.76 TRPV1 (0.44) TRPV1TYK2JAK2HTTALDH1A1
SCHEMBL111886 0.76 ADRA1D (0.44) TRPV1TYK2JAK2HTTSMN1; SMN2
SCHEMBL113789 0.75 CXCR3 (0.51) TRPV1HTTPRKCIALDH1A1SMN1; SMN2

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
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
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

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 332/4885TYK2 1297/4885JAK2 228/4885

“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.