SCHEMBL9892999

SCHEMBL9892999

CCC1C[C@@H](O)CN1c1ccnc(N2CCN(C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.47
ACHE P22303 4/20 0.40
HRH4 Q9H3N8 6/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HTR3A P46098 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9893036 0.87 ACACB (0.44) ACHE
SCHEMBL16480420 0.85 SORD (0.54) SORDACHEHRH4HRH3HTR3A
SCHEMBL9891831 0.82 SORD (0.46) SORDACHEHRH4HRH3HTR3A
SCHEMBL9893112 0.75 HRH4 (0.38) HRH4HRH3
SCHEMBL9893154 0.72 ACACB (0.45) SORD
SCHEMBL9893053 0.71 SORD (0.37) SORD
SCHEMBL9891836 0.70 ACACB (0.43)
SCHEMBL9892342 0.70 ACACB (0.48)
SCHEMBL9892045 0.70 CNR2 (0.46) CYP2D6
SCHEMBL1088608 0.69 HRH4 (0.59) SORDHRH4HRH3ALDH1A1CYP1A2

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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SORD 4445/4885ACHE 1832/4885HRH4 128/4885

“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.