SCHEMBL5097593

SCHEMBL5097593

NC1CCC(N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 12/20 0.56
▸ ADRA1D P25100 11/20 0.56
▸ ADRA1A P35348 11/20 0.56
▸ ADRA1B P35368 11/20 0.56
▸ CHRM4 P08173 3/20 0.43
▸ CHRM1 P11229 3/20 0.43
▸ SSTR1 P30872 2/20 0.39
▸ SSTR4 P31391 2/20 0.39
▸ CHRM2 P08172 1/20 0.37
▸ TRPV6 Q9H1D0 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL5111970 0.85 DRD2 (0.59) DRD2ADRA1DADRA1AADRA1BCHRM4
SCHEMBL5285246 0.79 DRD2 (0.59) DRD2ADRA1DADRA1AADRA1BCHRM4
SCHEMBL5104599 0.78 DRD2 (0.53) DRD2ADRA1DADRA1AADRA1BCHRM4
SCHEMBL5110343 0.77 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BCHRM4
SCHEMBL5104765 0.76 ADRA1D (0.55) DRD2ADRA1DADRA1AADRA1BTRPV6
SCHEMBL13999230 0.73 SLC6A2 (0.62) —
SCHEMBL13999213 0.73 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5101641 0.73 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5101829 0.73 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5101822 0.73 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470711-B2 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 — — US disclosed
US-7470711-B2 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 — — US disclosed
US-7470711-B2 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 — — US disclosed
EP-1865956-A2 PIPERIDINYL SUBSTITUTED CYCLOHEXANE-1,4-DIAMINES JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-19 — — EP disclosed
WO-2006101859-A2 PIPERIDINYL SUBSTITUTED CYCLOHEXANE-1,4-DIAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-28 — — WO disclosed
US-20060217419-A1 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-28 — — 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-20060217419-A1 Piperidinyl substituted cyclohexane-1,4-diamines ADRA1D, ADRA1A, ADRB1 DRD2 98/4885ADRA1D 1/4885ADRA1A 2/4885

“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.

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