SCHEMBL661509

SCHEMBL661509

Cc1ccc(C2CC(NC(=O)c3ccccc3)CN(C(=O)C3(NC(=O)O)CCC3)C2)cc1C

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.79
HPGD P15428 1/20 0.39
MMP2 P08253 1/20 0.39
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
OPRK1 P41145 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 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
SCHEMBL661343 0.94 F2R (0.70) F2RHPGDMMP2
SCHEMBL10242030 0.89 F2R (0.69) F2RHPGDMMP2
SCHEMBL10241116 0.88 F2R (1.00) F2RHPGDMMP2HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL661995 0.87 F2R (0.98) F2RHPGDMMP2HTTSMN1; SMN2
SCHEMBL10242029 0.84 F2R (0.62) F2RHPGDMMP2
SCHEMBL10242070 0.83 F2R (0.86) F2RHPGDMMP2
SCHEMBL661951 0.83 F2R (0.70) F2RHPGDMMP2HTTSMN1; SMN2
SCHEMBL661361 0.82 F2R (0.65) F2R
Hydrochloric Acid SCHEMBL485864 0.82 F2R (0.84) F2RHPGDMMP2
SCHEMBL485857 0.80 F2R (0.64) F2RNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-23 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 (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-20150183773-A1 Substituted piperidines VHL, PIR, PIGO F2R 1243/4885HPGD 410/4885MMP2 3941/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885HPGD 377/4885MMP2 1477/4885

“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.