SCHEMBL9892986

SCHEMBL9892986

CCC1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.55
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
PPARG P37231 1/20 0.43
AR P10275 1/20 0.43
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
DRD2 P14416 1/20 0.39

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
SCHEMBL9892854 0.89 PSEN1 (0.44) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL8156048 0.83 FFAR1 (0.45) FFAR1PPARGAR
SCHEMBL21135457 0.83 FFAR1 (0.58) FFAR1PPARGFPR1FPR2CHRNB2
SCHEMBL21135481 0.83 FFAR1 (0.58) FFAR1PPARGFPR1FPR2CHRNB2
SCHEMBL8404390 0.82 AR (0.51) FFAR1PPARGAR
SCHEMBL19314110 0.79 FFAR1 (0.51) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1983501 0.79 AR (0.46) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9892989 0.79 FPR1 (0.44) FFAR1ARFPR1FPR2KMT2A
SCHEMBL21135576 0.78 FFAR1 (0.53) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6720035 0.78 ALDH1A1 (0.43) FFAR1PSEN1PSEN2APH1BNCSTN

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 FFAR1 239/4885PSEN1 3321/4885PSEN2 3028/4885

“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.