SCHEMBL9103501

SCHEMBL9103501

CC1(C(=O)O)CCCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.56
CNR2 P34972 3/20 0.56
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
AKR1C3 P42330 1/20 0.42
NOTUM Q6P988 1/20 0.42
HSD11B1 P28845 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR1 P32246 1/20 0.38
CCR2 P41597 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL9103491 1.00 CNR1 (0.56) CNR1CNR2NR1H2NR1H3AKR1C3
SCHEMBL15059997 0.82 FFAR1 (0.44) CNR1CNR2NR1H2NR1H3MEN1
SCHEMBL2572245 0.81 CNR1 (0.53) CNR1CNR2AKR1C3NOTUMHSD11B1
SCHEMBL2572244 0.81 CNR1 (0.53) CNR1CNR2AKR1C3NOTUMHSD11B1
SCHEMBL9108710 0.80 CNR1 (0.61) CNR1CNR2HSD11B1MEN1HPGD
SCHEMBL2979456 0.80 CNR1 (0.42) CNR1CNR2NR1H2NR1H3NOTUM
SCHEMBL9108717 0.80 CNR1 (0.61) CNR1CNR2HSD11B1MEN1HPGD
SCHEMBL9893026 0.79 CNR1 (0.46) CNR1CNR2NR1H2NR1H3AKR1C3
SCHEMBL15060430 0.77 MEN1 (0.41) NR1H2NR1H3HSD11B1MEN1TSHR
SCHEMBL7737423 0.77 MAPT (0.46) AKR1C3MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
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 CNR1 2/4885CNR2 1/4885NR1H2 211/4885

“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.