SCHEMBL9891840

SCHEMBL9891840

CC(C)(C)C1CCCN1c1ccc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
GPR119 Q8TDV5 1/20 0.39
FFAR1 O14842 1/20 0.36
PDE10A Q9Y233 1/20 0.36
NUDT1 P36639 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
SMO Q99835 1/20 0.33
DEGS1 O15121 1/20 0.33

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
SCHEMBL16480379 0.80 CHRM4 (0.46) CNR2GPR119FFAR1PDE10AALDH1A1
SCHEMBL9891843 0.80 CNR2 (0.50) CNR2GPR119KDM4EMEN1ALDH1A1
SCHEMBL9893169 0.77 FFAR1 (0.46) CNR2GPR119FFAR1PDE10AKDM4E
SCHEMBL9891821 0.76 CNR2 (0.43) CNR2FFAR1ALDH1A1KMT2ACNR1
SCHEMBL16253025 0.76 CNR2 (0.51) CNR2GPR119KDM4EMEN1ALDH1A1
SCHEMBL9891889 0.75 ALDH1A1 (0.44) CNR2NUDT1KDM4EMEN1ALDH1A1
SCHEMBL9108974 0.74 CNR2 (0.41) CNR2FFAR1MEN1ALDH1A1KMT2A
SCHEMBL9108980 0.74 CNR2 (0.41) CNR2FFAR1MEN1ALDH1A1KMT2A
SCHEMBL9891860 0.73 ALDH1A1 (0.42) CNR2KDM4EMEN1ALDH1A1MAPT
SCHEMBL9107214 0.72 ADRA1A (0.48) CNR2FFAR1MAPTKMT2AHSD17B10

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 CNR2 1/4885GPR119 237/4885FFAR1 239/4885

“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.