SCHEMBL9107822

SCHEMBL9107822

O=C(O)[C@@H]1CCCN1c1ncc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAT2A P31153 2/20 0.38

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
SCHEMBL9107827 1.00 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AHSD17B10MAPTKDM4E
SCHEMBL9107770 0.86 KMT2A (0.46) SMN1; SMN2KMT2AHSD17B10MAPTKDM4E
SCHEMBL9107760 0.86 KMT2A (0.46) SMN1; SMN2KMT2AHSD17B10MAPTKDM4E
SCHEMBL3698930 0.83 CNR1 (0.62) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL3703692 0.83 CNR1 (0.62) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL3783905 0.80 CNR1 (0.58) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL29221025 0.78 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL29221023 0.78 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL16480386 0.77 ALDH1A1 (0.47) SMN1; SMN2KMT2AHSD17B10MAPTKDM4E
SCHEMBL9107214 0.76 ADRA1A (0.48) SMN1; SMN2KMT2AHSD17B10MAPTCNR2

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 SMN1; SMN2 4659/4885KMT2A 3551/4885HSD17B10 3541/4885

“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.