SCHEMBL9891860

SCHEMBL9891860

CC(C)(C)C1CCCN1c1ncc(Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HCRTR1 O43613 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
OPRK1 P41145 1/20 0.33
SMO Q99835 1/20 0.32
POLB P06746 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL9891889 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDALOX15KMT2A
SCHEMBL16480424 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDALOX15KMT2A
SCHEMBL13285331 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDALOX15KMT2A
SCHEMBL9891841 0.76 CNR2 (0.53) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL9107770 0.75 KMT2A (0.46) ALDH1A1KDM4EHPGDALOX15KMT2A
SCHEMBL9107760 0.75 KMT2A (0.46) ALDH1A1KDM4EHPGDALOX15KMT2A
SCHEMBL9891840 0.73 CNR2 (0.40) ALDH1A1KDM4EHPGDALOX15KMT2A
SCHEMBL16253000 0.73 CNR2 (0.50) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL15849381 0.70 KMT2A (0.42) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL9893105 0.69 CNR2 (0.55) CNR1CNR2

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 ALDH1A1 3279/4885KDM4E 2527/4885HPGD 601/4885

“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.