SCHEMBL3583049

SCHEMBL3583049

Nc1ccc2c(c1)NC(=O)C(N1CCOCC1)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.48
CA9 Q16790 1/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CRBN Q96SW2 2/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL3604609 0.95 TRPV1 (0.51) TRPV1CA9DRD2DRD4SMN1; SMN2
SCHEMBL3602000 0.90 DRD2 (0.43) TRPV1DRD2DRD4SMN1; SMN2GAA
SCHEMBL3597005 0.88 CA9 (0.45) TRPV1CA9DRD2DRD4SMN1; SMN2
SCHEMBL2062933 0.87 CA9 (0.47) TRPV1CA9GAAMAPTCRBN
SCHEMBL3600796 0.86 TSHR (0.46) TRPV1CA9DRD2DRD4SMN1; SMN2
SCHEMBL3602346 0.85 CA9 (0.43) TRPV1CA9DRD2DRD4SMN1; SMN2
SCHEMBL3588944 0.85 DRD2 (0.44) TRPV1CA9DRD2DRD4GAA
SCHEMBL3602310 0.85 CA9 (0.47) TRPV1CA9DRD2DRD4GAA
SCHEMBL3588009 0.84 CA9 (0.42) TRPV1CA9DRD2DRD4SMN1; SMN2
SCHEMBL3584531 0.84 TRPV1 (0.48) TRPV1DRD2DRD4SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103635458-B Trpv1 antagonists 艾伯维公司 2016-10-19 CN disclosed
US-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8802711-B2 TRPV1 antagonists ABBVIE INC. (US) 2014-08-12 US disclosed
CN-103635458-A Trpv1 antagonists ABBVIE INC 2014-03-12 CN disclosed
EP-2688866-A1 TRPV1 ANTAGONISTS AbbVie Inc. (US) 2014-01-29 EP disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
WO-2013096226-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
WO-2012134943-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2012-10-04 WO disclosed
US-20120245163-A1 TRPV1 Antagonists ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN 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 (3 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TRPV1 2518/4885CA9 1531/4885DRD2 530/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 TRPV1 1/4885CA9 1695/4885DRD2 714/4885
US-20120245163-A1 TRPV1 Antagonists TRPV1, TRPV3, TRPV6 TRPV1 1/4885CA9 2015/4885DRD2 457/4885

“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.