SCHEMBL5326103

SCHEMBL5326103

O=C(CCl)N1CCC2(CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 3/20 0.43
LMNA P02545 1/20 0.42
CYP2D6 P10635 3/20 0.38
TSHR P16473 2/20 0.37
GPX4 P36969 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCKBR P32239 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 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
SCHEMBL8904921 0.98 ALDH1A1 (0.46) ALDH1A1POLBHTTSMN1; SMN2HSD11B1
SCHEMBL4440505 0.91 ALDH1A1 (0.50) ALDH1A1POLBHTTSMN1; SMN2LMNA
SCHEMBL8905402 0.80 GRM5 (0.50) ALDH1A1POLBHTTSMN1; SMN2HSD11B1
SCHEMBL8904836 0.79 ALDH1A1 (0.41) ALDH1A1HSD11B1CYP2D6TSHRCYP1A2
SCHEMBL21480105 0.79 ALDH1A1 (0.45) ALDH1A1HSD11B1CYP2D6TSHRCYP1A2
SCHEMBL8903133 0.78 HSD11B1 (0.42) ALDH1A1HSD11B1TSHRCYP1A2CYP3A4
SCHEMBL69354 0.77
SCHEMBL224023 0.77
SCHEMBL4022870 0.77 ALDH1A1 (0.48) ALDH1A1POLBHTTSMN1; SMN2LMNA
SCHEMBL4438715 0.77 ALDH1A1 (0.53) ALDH1A1POLBHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 WO disclosed
US-5618808-A Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists PFIZER, INC. (US) 1997-04-08 US disclosed
EP-0648213-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-04-19 EP disclosed
WO-1994001421-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-01-20 WO 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-20070299113-A1 Metabotropic glutamate receptor modulators GRM1, GRM2, GRM3 ALDH1A1 2824/4885POLB 4715/4885HTT 413/4885

“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.