SCHEMBL9105160

SCHEMBL9105160

O=C(O)[C@@H]1CCCN1CCCO

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
ACE P12821 5/20 0.40
CYP2C19 P33261 2/20 0.40
NR1I2 O75469 1/20 0.40
OPRD1 P41143 2/20 0.39
REN P00797 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1360596 1.00 HTT (0.41) HTTCYP1A2ACECYP2C19NR1I2
SCHEMBL14012825 0.95 SMN1; SMN2 (0.43) HTTCYP1A2CYP2C19NR1I2LMNA
SCHEMBL884218 0.89 HTT (0.50) HTTCYP1A2ACECYP2C19REN
SCHEMBL29625486 0.89 ACE (0.43) HTTACEOPRD1
SCHEMBL2162311 0.89 HTT (0.50) HTTCYP1A2ACECYP2C19REN
SCHEMBL28093144 0.87 HTT (0.42) HTTNR1I2OPRD1LMNA
SCHEMBL1360593 0.85 CYP1A2 (0.40) CYP1A2ACECYP2C19NR1I2REN
SCHEMBL1466679 0.84 HTT (0.40) HTTNR1I2OPRD1LMNA
SCHEMBL7974526 0.84 ACE (0.44) CYP1A2ACECYP2C19RENLMNA
SCHEMBL16106745 0.84 HTT (0.40) HTTNR1I2OPRD1LMNA

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 4 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
CN-1315028-C Position Chinese character inputting method LI JIANXUE (CN) 2007-05-09 CN disclosed
CN-1235617-C Containing magnesium ascorbyl phosphate and UNINONTAN-U34TMSkin whitening composition (preparation containing cucumber extract and lemon extract) MARY KAY INC (US) 2006-01-11 CN 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 HTT 3335/4885CYP1A2 1529/4885ACE 3990/4885

“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.