SCHEMBL15567828

SCHEMBL15567828

Cc1[nH]ccc1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL1566864 0.81 CA12 (0.38) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL163017 0.81 CA12 (0.35) RAB9ANPC1SMN1; SMN2KMT2ACA12
SCHEMBL28587355 0.81 ALDH1A1 (0.36) KMT2AADRA1AADRA1BALDH1A1GRM6
SCHEMBL8562952 0.80 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL4117555 0.79 MAPT (0.46) KMT2ACA12CA1CA2CA9
SCHEMBL624330 0.77 RAB9A (0.33) RAB9ANPC1SMN1; SMN2KMT2ACA12
SCHEMBL28816343 0.77 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2ADRA1AADRA1B
SCHEMBL18703898 0.76 ADRA1A (0.34) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL1156163 0.76 KMT2A (0.58) NPC1KMT2ACA12CA1CA2
SCHEMBL1320587 0.75 ELANE (0.32) RAB9ANPC1SMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
WO-2014025651-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 WO disclosed
CN-102762549-A Phthalazinone derivative, and preparation method and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2012-10-31 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 (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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 RAB9A 1056/4885NPC1 702/4885SMN1; SMN2 923/4885

“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.