SCHEMBL18436327

SCHEMBL18436327

CCC(=O)N1CCN(c2ccccc2)CC1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
FAAH O00519 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRM4 P08173 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
AGTR2 P50052 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NOTUM Q6P988 1/20 0.45
SCD5 Q86SK9 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
GRM1 Q13255 3/20 0.44
SMO Q99835 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL19012521 0.87 TSHR (0.52) CTSBCTSSCTSKFAAHKMT2A
SCHEMBL27603987 0.85 KMT2A (0.50) CTSBCTSSCTSKKMT2AMEN1
SCHEMBL27606539 0.84 FAAH (0.54) CTSBCTSSCTSKFAAHKMT2A
SCHEMBL20139213 0.84 FAAH (0.54) CTSBCTSSCTSKFAAHKMT2A
SCHEMBL27873105 0.84 KMT2A (0.49) CTSBCTSSCTSKKMT2ACHRM4
SCHEMBL19012518 0.83 HSD11B1 (0.48) FAAHCHRM4TSHRHTTTP53
SCHEMBL17324998 0.83 FAAH (0.53) CTSBCTSSCTSKFAAHKMT2A
SCHEMBL26870516 0.83 FAAH (0.53) CTSBCTSSCTSKFAAHKMT2A
SCHEMBL18436642 0.83 MEN1 (0.55) KMT2AMEN1TSHRHTT
SCHEMBL18997531 0.82 FAAH (0.50) CTSBCTSSCTSKFAAHCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CTSB 1267/4885CTSS 2141/4885CTSK 1399/4885

“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.