SCHEMBL2797980

SCHEMBL2797980

CNC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
SPTLC2 O15270 5/20 0.44

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
SCHEMBL1938358 1.00 LMNA (0.49) LMNACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7932432 1.00 LMNA (0.49) LMNACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2799214 0.80 TLR2 (0.53) LMNACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1937652 0.80 TLR2 (0.53) LMNACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7921209 0.80 TLR2 (0.53) LMNACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1935651 0.76 LMNA (0.46) LMNACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1936843 0.74 LMNA (0.46) LMNACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2797622 0.74 LMNA (0.46) LMNACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7934320 0.74 LMNA (0.46) LMNACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL27460649 0.70 LMNA (0.47) LMNACYP3A4CYP2C9CYP2C19ALDH1A1

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-8293770-B2 Pyrrolidine derivatives as NK-3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20100168088-A1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 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-20100168088-A1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS OPRK1, OPRL1, OPRD1 LMNA 4783/4885CYP3A4 2181/4885CYP2C9 2279/4885

“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.