SCHEMBL5481875

SCHEMBL5481875

O=C1C2CN(Cc3ccccc3)CC1N2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 2/20 0.51
▸ S1PR1 P21453 1/20 0.49
▸ S1PR5 Q9H228 1/20 0.49
▸ SIGMAR1 Q99720 2/20 0.48
▸ GAA P10253 1/20 0.45
▸ TACR1 P25103 1/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ OPRL1 P41146 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
SCHEMBL9052958 0.81 FUCA1 (0.58) FUCA1S1PR1S1PR5SIGMAR1GBA1
SCHEMBL2962712 0.81 FUCA1 (0.58) FUCA1S1PR1S1PR5SIGMAR1GAA
SCHEMBL1514852 0.78 FUCA1 (0.55) FUCA1S1PR1S1PR5SIGMAR1GAA
SCHEMBL18339637 0.78 FUCA1 (0.55) FUCA1S1PR1S1PR5SIGMAR1GAA
SCHEMBL30875889 0.78 FUCA1 (0.55) FUCA1S1PR1S1PR5SIGMAR1GAA
SCHEMBL20417932 0.78 FUCA1 (0.55) FUCA1S1PR1S1PR5SIGMAR1GAA
SCHEMBL19518531 0.78 FUCA1 (0.55) FUCA1S1PR1S1PR5SIGMAR1GAA
SCHEMBL31327374 0.78 FUCA1 (0.55) FUCA1S1PR1S1PR5SIGMAR1GAA
SCHEMBL17560348 0.78 FUCA1 (0.55) FUCA1S1PR1S1PR5SIGMAR1GAA
SCHEMBL10409230 0.77 FUCA1 (0.50) FUCA1S1PR1S1PR5SIGMAR1GAA

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-20070225492-A1 3,6-Diazabicyclo[3.1.1]Heptane Derivatives with Analgesic Activity UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2007-09-27 — — US disclosed
EP-1751164-A1 3,6-DIAZABICYCLOS[3.1.1]HEPTANE DERIVATIVES WITH ANALGESIC ACTIVITY UNIVERSITA'DEGLI STUDI DI MILANO (IT) 2007-02-14 — — EP disclosed
WO-2005108402-A1 3,6-DIAZABICYCLOS[3.1.1]HEPTANE DERIVATIVES WITH ANALGESIC ACTIVITY UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2005-11-17 — — WO 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-20070225492-A1 3,6-Diazabicyclo[3.1.1]Heptane Derivatives with Analgesic Activity OPRK1, OPRM1, OPRD1 FUCA1 3499/4885S1PR1 1635/4885S1PR5 2090/4885

“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.

Send feedback