SCHEMBL18355607

SCHEMBL18355607

Cc1cccc(-n2c(C)nc(C(=O)CCl)c2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ GRM5 P41594 3/20 0.44
▸ TP53 P04637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ HPD P32754 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CNR1 P21554 1/20 0.39

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
SCHEMBL18355726 0.89 HTR2A (0.49) NOTUMGRM5ALDH1A1MAPTHTT
SCHEMBL18356176 0.87 NOTUM (0.47) NOTUMGRM5ALDH1A1MAPTLMNA
SCHEMBL17077648 0.86 CNR2 (0.51) GRM5ALDH1A1HTTLMNAHTR2A
SCHEMBL18355727 0.80 ALDH1A1 (0.51) ATMNOTUMTP53ALDH1A1LMNA
SCHEMBL18355793 0.75 NOTUM (0.69) NOTUMTP53ALDH1A1MAPTHTT
SCHEMBL18355608 0.74 RAB9A (0.57) ALDH1A1MAPTHTTLMNAPOLB
SCHEMBL22641005 0.73 CNR2 (0.52) GRM5ALDH1A1HTTHTR2AHTR2C
SCHEMBL18356175 0.72 RAB9A (0.45) ALDH1A1MAPTHTTLMNAPOLB
SCHEMBL1079479 0.72 PIK3R2 (0.51) NOTUMGRM5TP53MAPTHTT
SCHEMBL18355722 0.72 ALDH1A1 (0.60) GRM5TP53ALDH1A1HTTLMNA

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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 ATM 2389/4885NOTUM 3371/4885GRM5 267/4885

“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.

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