SCHEMBL2838706

SCHEMBL2838706

CCOC(=O)CCN(Cc1ccco1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.50
MAPT P10636 2/20 0.48
POLB P06746 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2842162 0.90 TRPM8 (0.50) TRPM8MAPTPOLBALDH1A1TP53
SCHEMBL2837947 0.86 TRPM8 (0.52) TRPM8MAPTPOLBALDH1A1TP53
SCHEMBL11884379 0.84 THRA (0.53) TRPM8MAPTPOLBALDH1A1TSHR
SCHEMBL13546126 0.82 ALDH1A1 (0.50) TRPM8MAPTPOLBALDH1A1TSHR
SCHEMBL3573494 0.81 TRPM8 (0.52) TRPM8MAPTPOLBALDH1A1TP53
SCHEMBL64663 0.77 ALDH1A1 (0.51) TRPM8MAPTPOLBALDH1A1TP53
SCHEMBL8628856 0.76 TRPM8 (0.49) TRPM8MAPTPOLBALDH1A1TSHR
SCHEMBL27870734 0.76 TRPM8 (0.46) TRPM8MAPTPOLBALDH1A1TP53
SCHEMBL10654873 0.74 CYP1A2 (0.47) POLBALDH1A1TSHR
SCHEMBL1645027 0.74 ALDH1A1 (0.54) TRPM8MAPTPOLBALDH1A1TP53

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
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
CN-101646678-B heteroaryl derivatives NIPPON SHINYAKU CO LTD 2012-05-30 CN disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 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 (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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 TRPM8 1277/4885MAPT 2608/4885POLB 3087/4885

“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.