SCHEMBL661950

SCHEMBL661950

CC(C)c1cccc(C2CC(NC(=O)c3ccccc3)CN(C(=O)N3CCOCC3)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 1.00
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.42
TACR1 P25103 1/20 0.42
KIF11 P52732 1/20 0.41
KDM5A P29375 2/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL485923 0.84 F2R (0.73) F2RCYP2C19SMN1; SMN2KIF11
SCHEMBL485814 0.84 F2R (0.83) F2RCYP2C19TACR1
SCHEMBL486325 0.81 F2R (0.68) F2RCYP2C19SMN1; SMN2
SCHEMBL485965 0.79 F2R (1.00) F2RCYP2C19TACR1
SCHEMBL486250 0.79 F2R (0.65) F2RCYP2C19SMN1; SMN2KIF11ALDH1A1
SCHEMBL486326 0.78 F2R (0.70) F2RCYP2C19SMN1; SMN2ALDH1A1
SCHEMBL662954 0.76 F2R (0.80) F2RCYP2C19
SCHEMBL485810 0.74 F2R (0.59) F2RKDM5A
SCHEMBL13191675 0.74 F2R (0.77) F2RCYP2C19TACR1ALDH1A1
SCHEMBL13191674 0.73 F2R (0.64) F2RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP 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-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 1243/4885CYP2C19 1032/4885SMN1; SMN2 1869/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885CYP2C19 543/4885SMN1; SMN2 3678/4885

“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.