SCHEMBL661047

SCHEMBL661047

CCc1ccc(C2CC(C(=O)Nc3ccccc3)CN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 8/20 0.67
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
STAT1 P42224 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46
STS P08842 1/20 0.44

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
SCHEMBL486286 0.90 F2R (0.63) F2RMAPTNPC1RAB9ASTAT1
SCHEMBL661194 0.88 F2R (0.69) F2RMAPTNPC1RAB9ASTAT1
SCHEMBL661823 0.88 F2R (0.72) F2RMAPTNPC1RAB9ASTAT1
SCHEMBL486070 0.87 F2R (0.68) F2RMAPTNPC1RAB9ASTAT1
SCHEMBL485835 0.85 F2R (0.65) F2RMAPTNPC1RAB9ASTAT1
SCHEMBL486221 0.84 F2R (0.67) F2RMAPTNPC1RAB9ASTAT1
SCHEMBL485989 0.84 F2R (0.74) F2RABL1RIN1MAPTNPC1
SCHEMBL10188882 0.84 F2R (0.64) F2RMAPTNPC1RAB9ASTAT1
SCHEMBL10188941 0.83 F2R (0.71) F2RMAPTNPC1RAB9ASTAT1
SCHEMBL662484 0.83 F2R (0.83) F2RMAPTNPC1RAB9ASTAT1

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-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
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-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 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
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-23 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 1243/4885PTPN2 3427/4885PTPN1 3676/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885PTPN2 3748/4885PTPN1 2942/4885

“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.