SCHEMBL9107770

SCHEMBL9107770

O=C(O)C1CCCN1c1ncc(Cl)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
MDM2 Q00987 4/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GUCY1B2 O75343 1/20 0.39
GUCY1A2 P33402 1/20 0.39
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 1/20 0.39
CNR1 P21554 1/20 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
SCHEMBL9107760 1.00 KMT2A (0.46) KMT2ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL9107822 0.86 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL9107827 0.86 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL16480424 0.78 ALDH1A1 (0.45) KMT2ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL21661131 0.78 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2HSD17B10KEAP1NFE2L2
SCHEMBL3703692 0.76 CNR1 (0.62) KMT2ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL3698930 0.76 CNR1 (0.62) KMT2ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL31381239 0.76 NEK2 (0.49) HSD17B10KDM4EHPGDUSP2
SCHEMBL9891860 0.75 ALDH1A1 (0.42) KMT2ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL13285331 0.75 ALDH1A1 (0.42) KMT2ASMN1; SMN2HSD17B10MAPTKDM4E

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