SCHEMBL10163029

SCHEMBL10163029

OC1(c2ccccc2)CCN(c2ccc(C3CCNC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.45
SLC18A3 Q16572 1/20 0.42
HTR3A P46098 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
USP2 O75604 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL10163027 0.82 SLC18A3 (0.55) JAK3SLC18A3HTR3A
SCHEMBL10161173 0.79 OPRM1 (0.46) JAK3HTR3AOPRM1OPRD1OPRK1
SCHEMBL10162759 0.79 HTR3A (0.49) JAK3HTR3AUSP2CYP2D6
SCHEMBL10162739 0.78 HTR3A (0.58) JAK3SLC18A3HTR3A
SCHEMBL10161191 0.76 HTR3A (0.56) JAK3SLC18A3HTR3A
SCHEMBL27345562 0.76 OPRL1 (0.56) OPRM1OPRD1OPRK1OPRL1USP2
SCHEMBL10162841 0.76 OPRL1 (0.43) SLC18A3OPRM1OPRD1OPRK1OPRL1
SCHEMBL10161177 0.76 HTR3A (0.51) JAK3SLC18A3HTR3A
SCHEMBL10130919 0.74 SLC6A2 (0.48) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL10163585 0.74 HTR3A (0.53) JAK3HTR3A

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-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 JAK3 4653/4885SLC18A3 1584/4885HTR3A 852/4885

“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.