SCHEMBL5400718

SCHEMBL5400718

Cc1cc(F)ccc1N1CCNCC1C(=O)O[C@@H](C)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.50
HTR7 P34969 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL5400714 1.00 TACR1 (0.50) TACR1HTR7HTR2CHTR2BMC4R
SCHEMBL6651268 0.82 TACR1 (0.51) TACR1HTR7HTR2CHTR2B
SCHEMBL5408982 0.81 TACR1 (0.57) TACR1HTR7HTR2CHTR2BMAPT
SCHEMBL5397090 0.78 TP53 (0.40) TACR1LMNATP53
SCHEMBL5397096 0.78 TP53 (0.40) TACR1LMNATP53
SCHEMBL5384916 0.77 TACR1 (0.59) TACR1HTR7HTR2CHTR2B
SCHEMBL8695329 0.75 TACR1 (0.42) TACR1HTR7HTR2C
SCHEMBL5401386 0.72 TACR1 (0.48) TACR1HTR2CHTR2BLMNAMAPT
SCHEMBL9984065 0.71 TACR1 (0.38) TACR1HTR2CHTR2BLMNAMAPT
SCHEMBL5390992 0.71 MAPT (0.44) LMNATP53MAPTTHRB

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-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
EP-1423117-B1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2005-10-19 EP disclosed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
EP-1423117-A1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-06-02 EP disclosed
WO-2003015784-A1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-02-27 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-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors SLC6A4, TPH1, HTR1D TACR1 49/4885HTR7 26/4885HTR2C 7/4885

“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.