SCHEMBL3048247

SCHEMBL3048247

NC(=O)C1(N2CCC(N3C(=O)CN(N4CC5CN(C(=O)O)CC5C4)c4ccccc43)CC2)CCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 2/20 0.41
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
OPRM1 P35372 5/20 0.35
OPRL1 P41146 3/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL852995 0.88 OGFRL1 (0.40) OGFRL1ALDH1A1TP53OPRM1OPRL1
SCHEMBL852258 0.77 JAK2 (0.38) OGFRL1OPRM1OPRL1OPRK1
SCHEMBL852496 0.66 OGFRL1 (0.53) OGFRL1ALDH1A1TP53OPRM1OPRL1
SCHEMBL21548105 0.62 OGFRL1 (0.56) OGFRL1ALDH1A1TP53OPRM1OPRL1
SCHEMBL853690 0.59 OGFRL1 (0.44) OGFRL1OPRM1OPRL1KCNH2OPRK1
SCHEMBL15848107 0.59 OPRM1 (0.64) OPRM1OPRL1OPRK1
SCHEMBL4610975 0.58 TSHR (0.80) ALDH1A1TP53OPRM1TSHRKDM4E
Hydrochloric Acid SCHEMBL6504677 0.57 TSHR (0.78) ALDH1A1TP53OPRM1TSHRKDM4E
SCHEMBL5633342 0.57 ALDH1A1 (0.54) ALDH1A1TP53TSHRKDM4EMAPT
SCHEMBL10002524 0.57 ALDH1A1 (0.54) ALDH1A1TP53TSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 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-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 OGFRL1 2120/4885ALDH1A1 889/4885TP53 3868/4885

“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.