SCHEMBL18129124

SCHEMBL18129124

CC(C)(C)OC(=O)N1CCC(NCCc2ccc(Br)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.49
FPR3 P25089 3/20 0.49
ALDH1A1 P00352 2/20 0.49
USP30 Q70CQ3 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX1 P07099 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
GPR119 Q8TDV5 3/20 0.45
STS P08842 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
DRD4 P21917 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
SCHEMBL17854056 0.89 GPR119 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2106890 0.88 STS (0.57) ALDH1A1USP30EPHX1GPR119STS
SCHEMBL5013239 0.88 ALDH1A1 (0.51) FPR2FPR3ALDH1A1USP30NPC1
SCHEMBL10108244 0.88 ALDH1A1 (0.49) ALDH1A1HTTKDM4EDRD4
SCHEMBL3025644 0.84 ALDH1A1 (0.51) ALDH1A1USP30NPC1RAB9AGPR119
SCHEMBL20015575 0.83 FPR2 (0.53) FPR2FPR3PTPN2PTPN1PTPN6
SCHEMBL2636671 0.82 MEN1 (0.57) FPR2FPR3ALDH1A1USP30NPC1
SCHEMBL651647 0.82 STS (0.49) ALDH1A1USP30NPC1MAPTMAPK1
SCHEMBL651646 0.82 STS (0.49) ALDH1A1USP30NPC1MAPTMAPK1
SCHEMBL4213070 0.81 DRD4 (0.57) ALDH1A1USP30EPHX1GPR119STS

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
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC FPR2 1460/4885FPR3 340/4885ALDH1A1 1006/4885

“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.