SCHEMBL9892996

SCHEMBL9892996

CCC1CCCN1c1ncc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNB3 Q05901 1/20 0.37
GRM5 P41594 1/20 0.36
NR1I2 O75469 2/20 0.36

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
SCHEMBL13285331 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EALOX15KMT2AHSD17B10
SCHEMBL9892995 0.83 CNR1 (0.50) ALDH1A1KDM4EKMT2AMAPTHPGD
SCHEMBL16480386 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EALOX15KMT2AHSD17B10
SCHEMBL9891889 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EALOX15KMT2AHSD17B10
SCHEMBL9893169 0.75 FFAR1 (0.46) ALDH1A1KDM4ECHRNB1CHRNB2CHRNB4
SCHEMBL9107822 0.73 SMN1; SMN2 (0.47) ALDH1A1KDM4EALOX15KMT2AHSD17B10
SCHEMBL9107827 0.73 SMN1; SMN2 (0.47) ALDH1A1KDM4EALOX15KMT2AHSD17B10
SCHEMBL28220645 0.71 AR (0.45) ALDH1A1KMT2AMEN1TSHRNR1I2
SCHEMBL25693763 0.70 HTT (0.50) ALDH1A1MAPTHPGDNR1I2SMARCA2
SCHEMBL9893131 0.70 AR (0.43) ALDH1A1MAPTHPGDCHRNB1CHRNB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2527/4885ALOX15 966/4885

“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.