SCHEMBL3113181

SCHEMBL3113181

O=C(Nc1ccncc1)c1ccccc1N1CCN(C(=O)CN2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
NAMPT P43490 3/20 0.38
HTT P42858 2/20 0.37
TYK2 P29597 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 1/20 0.37
POLB P06746 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3105176 0.85 RAB9A (0.43) TRPV1LMNAPKMNAMPTHTT
SCHEMBL113050 0.83 TRPV1 (0.44) TRPV1LMNAHTTTYK2KDM4E
SCHEMBL111886 0.81 ADRA1D (0.44) TRPV1HTTTYK2KDM4ESMN1; SMN2
SCHEMBL3105119 0.80 TRPV1 (0.50) TRPV1HTTTYK2KDM4ESMN1; SMN2
SCHEMBL111684 0.79 HDAC1 (0.41) TRPV1LMNAHTTTYK2JAK2
SCHEMBL3101690 0.78 HSD17B10 (0.55) TRPV1LMNAHTTKDM4ESMN1; SMN2
SCHEMBL163235 0.77 HSD17B10 (0.45) TRPV1LMNAHTTKDM4ESMN1; SMN2
SCHEMBL111857 0.75 TRPV1 (0.47) TRPV1HTTTYK2KDM4ESMN1; SMN2
SCHEMBL162320 0.75 CXCR3 (0.51) TRPV1LMNAHTTTYK2SMN1; SMN2
SCHEMBL111833 0.73 CXCR3 (0.61) TRPV1LMNANAMPTTYK2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 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 332/4885ITGB1 326/4885ITGAV 637/4885

“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.