SCHEMBL695477

SCHEMBL695477

Clc1[nH]n[c]c1Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
TSHR P16473 2/20 0.40
HRH1 P35367 1/20 0.37
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIN28A Q9H9Z2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL29830938 0.70 L3MBTL1 (0.59) L3MBTL1HRH3HRH4TSHRHRH1
SCHEMBL41191 0.70 L3MBTL1 (0.59) L3MBTL1HRH3HRH4TSHRHRH1
SCHEMBL31276017 0.69 L3MBTL1 (0.66) L3MBTL1HRH3HRH4HRH1LMNA
SCHEMBL30271022 0.68 L3MBTL1 (0.65) L3MBTL1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL3128571 0.68 L3MBTL1 (0.65) L3MBTL1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL28341570 0.68 L3MBTL1 (0.65) L3MBTL1TSHRALDH1A1MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL6176560 0.68 L3MBTL1 (0.57) L3MBTL1HRH3HRH4TSHRHRH1
Hydrochloric Acid SCHEMBL10884973 0.68 L3MBTL1 (0.57) L3MBTL1HRH3HRH4HRH1LMNA
SCHEMBL29715188 0.68 L3MBTL1 (0.57) L3MBTL1HRH3HRH4TSHRHRH1
SCHEMBL4938201 0.68 L3MBTL1 (0.57) L3MBTL1HRH3HRH4TSHRHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US claimed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP claimed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO claimed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US claimed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 L3MBTL1 2744/4885HRH3 574/4885HRH4 490/4885

“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.