SCHEMBL3604609

SCHEMBL3604609

Nc1ccc2c(c1)NC(=O)C(N1CCCOCC1)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.51
CA9 Q16790 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3583049 0.95 TRPV1 (0.48) TRPV1CA9DRD2DRD4POLB
SCHEMBL3597005 0.89 CA9 (0.45) TRPV1CA9DRD2DRD4SMN1; SMN2
SCHEMBL3600796 0.87 TSHR (0.46) TRPV1CA9DRD2DRD4POLB
SCHEMBL3602000 0.85 DRD2 (0.43) TRPV1DRD2DRD4POLBALOX15
SCHEMBL2062933 0.83 CA9 (0.47) TRPV1CA9POLBGAAMAPT
SCHEMBL13545289 0.83 TRPV1 (0.58) TRPV1DRD2DRD4POLBALOX15
SCHEMBL3588944 0.81 DRD2 (0.44) TRPV1CA9DRD2DRD4GAA
SCHEMBL3602346 0.81 CA9 (0.43) TRPV1CA9DRD2DRD4SMN1; SMN2
SCHEMBL3602310 0.81 CA9 (0.47) TRPV1CA9DRD2DRD4GAA
SCHEMBL3588009 0.80 CA9 (0.42) TRPV1CA9DRD2DRD4SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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.