SCHEMBL1704157

SCHEMBL1704157

N#Cc1cc(NC2CCNCC2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.47
CTSB P07858 5/20 0.47
CTSS P25774 5/20 0.47
CTSK P43235 5/20 0.47
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
HTR6 P50406 6/20 0.40
GRM4 Q14833 1/20 0.39
CHEK1 O14757 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL19915074 0.85 NPC1 (0.44) CTSLCTSBCTSSCTSKGRM4
SCHEMBL1704674 0.82 KDM1A (0.53) CTSLCTSBCTSSCTSKKDM1A
SCHEMBL27478239 0.82 CTSL (0.42) CTSLCTSBCTSSCTSKHTR6
SCHEMBL9984392 0.79 HDAC8 (0.48) CTSLCTSBCTSSCTSKHTR6
SCHEMBL381677 0.79 TRPA1 (0.53) CTSLCTSBCTSSCTSKCHEK1
Hydrochloric Acid SCHEMBL382423 0.78 HDAC8 (0.47) CTSLCTSBCTSSCTSKHTR6
Hydrochloric Acid SCHEMBL381432 0.78 TRPA1 (0.52) CTSLCTSBCTSSCTSKHTR6
SCHEMBL12184793 0.77 KDM1A (0.44) CTSLCTSBCTSSCTSKKDM1A
SCHEMBL4399289 0.77 CTSL (0.44) CTSLCTSBCTSSCTSKKDM1A
SCHEMBL26125585 0.76 TRPV4 (0.46) MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
CN-101258143-B Benzylpiperazine derivatives and their medical use GLAXO GROUP LTD 2012-12-26 CN disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
CN-101258143-A Benzylpiperazine derivatives and their medical use GLAXO GROUP LTD (GB) 2008-09-03 CN disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 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 (2 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-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 CTSL 3474/4885CTSB 3332/4885CTSS 3765/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 CTSL 2852/4885CTSB 2762/4885CTSS 2499/4885

“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.