SCHEMBL9891850

SCHEMBL9891850

CC(C)[C@]1(C)CCCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
OGA O60502 2/20 0.41
KDM4E B2RXH2 6/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
APAF1 O14727 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC11 Q96DB2 2/20 0.40
CXCR3 P49682 1/20 0.40
GAA P10253 1/20 0.40
PANK3 Q9H999 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
SMO Q99835 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL9893003 0.83 CNR1 (0.51) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL9891846 0.79 CNR1 (0.42) CNR1CNR2KDM4EALDH1A1
SCHEMBL9108717 0.77 CNR1 (0.61) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL9108710 0.77 CNR1 (0.61) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL9892086 0.72 CNR1 (0.75) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL648751 0.70 KDM4E (0.54) KDM4EMAPTSMN1; SMN2ALDH1A1CXCR3
SCHEMBL1471033 0.69 MAPT (0.41) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL23207522 0.69 KDM4E (0.62) KDM4EMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14417584 0.68 HRH3 (0.64) OGAKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL30582921 0.67 KDM4E (0.60) KDM4EMAPTSMN1; SMN2L3MBTL1ALDH1A1

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 1/4885OGA 4304/4885

“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.