SCHEMBL1587985

SCHEMBL1587985

O=C(O)N1CCC(O)(c2ncccc2CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
PKLR P30613 6/20 0.37
CHRM2 P08172 1/20 0.36
CYP46A1 Q9Y6A2 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPR P35270 1/20 0.35

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
SCHEMBL12701930 0.82 POLB (0.48) OPRD1OPRK1CHRM2POLB
SCHEMBL5732611 0.81 PKLR (0.51) MEN1KMT2AALDH1A1LMNAPKLR
SCHEMBL16836254 0.80 CYP46A1 (0.33) MEN1KMT2AALDH1A1LMNAOPRM1
SCHEMBL2515120 0.79 OPRL1 (0.56) KMT2AALDH1A1LMNAOPRL1CHRM2
SCHEMBL27656064 0.79 RBP4 (0.42) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL30670230 0.76 KMT2A (0.37) MEN1KMT2AALDH1A1LMNAOPRM1
SCHEMBL26599261 0.76 KMT2A (0.37) MEN1KMT2AALDH1A1LMNAOPRM1
SCHEMBL16992546 0.73 OPRM1 (0.61) MEN1KMT2AALDH1A1LMNAOPRM1
SCHEMBL3213526 0.72 OPRL1 (0.56) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL1577713 0.71 PDE10A (0.44) CHRM2

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-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists PFIZER INC. 2011-04-21 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-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists OXTR, PRLHR, KISS1R MEN1 3123/4885KMT2A 4550/4885ALDH1A1 2898/4885

“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.