SCHEMBL3104621

SCHEMBL3104621

NC(=O)C(=O)N1CCN(c2ccccc2C(=O)Nc2cccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
CYP11B2 P19099 2/20 0.51
PTPN11 Q06124 1/20 0.47
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
NAMPT P43490 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP11B1 P15538 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
SCHEMBL3105110 0.87 TRPV1 (0.51) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3104629 0.86 TRPV1 (0.53) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL14664001 0.83 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL112712 0.81 ALDH1A1 (0.56) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL110852 0.79 KMT2A (0.59) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL111890 0.77 CXCR3 (0.49) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL13076824 0.76 NAMPT (0.52) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL110415 0.76 CXCR3 (0.58) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL111521 0.76 TRPV1 (0.54) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL162993 0.75 TRPV1 (0.44) TRPV1MEN1KMT2AALDH1A1KDM4E

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 332/4885MEN1 3298/4885KMT2A 3794/4885

“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.