SCHEMBL3099987

SCHEMBL3099987

COC(=O)c1ccc(N2CCS(=O)(=O)CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
KMT2A Q03164 1/20 0.66
ALDH1A1 P00352 1/20 0.63
CRBN Q96SW2 4/20 0.60
DDB1 Q16531 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
OGA O60502 1/20 0.52
ADRA1A P35348 2/20 0.50
MAPK1 P28482 2/20 0.49
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RY12 Q9H244 1/20 0.46
WNT3A P56704 1/20 0.46
AOC3 Q16853 1/20 0.45

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
SCHEMBL1331652 0.86 RAB9A (0.73) RAB9ANPC1KMT2ACRBNDDB1
SCHEMBL3895677 0.85 RAB9A (0.72) RAB9ANPC1KMT2AALDH1A1CRBN
SCHEMBL7326778 0.84 RAB9A (0.71) RAB9ANPC1KMT2AALDH1A1CRBN
SCHEMBL1938168 0.82 KDM4E (0.59) RAB9ANPC1KMT2AALDH1A1HRH3
SCHEMBL64370 0.82 NPC1 (0.71) RAB9ANPC1KMT2AALDH1A1CRBN
SCHEMBL532001 0.82 RAB9A (0.67) RAB9ANPC1KMT2ACRBNDDB1
SCHEMBL18744958 0.82 RAB9A (0.67) RAB9ANPC1KMT2AALDH1A1CRBN
SCHEMBL5013526 0.81 UBE2T (0.51) ALDH1A1HRH3ADRA1AKDM4EWNT3A
SCHEMBL16855255 0.81 ALDH1A1 (0.60) RAB9ANPC1KMT2AALDH1A1CRBN
SCHEMBL5202526 0.81 RAB9A (0.67) RAB9ANPC1KMT2ACRBNDDB1

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
US-9624198-B2 Substituted piperidinyltetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 RAB9A 844/4885NPC1 846/4885KMT2A 1488/4885

“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.