SCHEMBL661530

SCHEMBL661530

CCc1ccc(C2CC(NC(=O)NCc3ccccc3)CN(C(=O)C3CCCC3)C2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 11/20 0.71
▸ HPGD P15428 2/20 0.51
▸ EPHX1 P07099 2/20 0.51
▸ GAA P10253 1/20 0.45
▸ DRD4 P21917 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ FKBP1A P62942 1/20 0.42

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
SCHEMBL662897 0.89 F2R (0.81) F2RSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL662294 0.87 F2R (0.74) F2REPHX1SMN1; SMN2RAB9ANPC1
SCHEMBL485980 0.87 F2R (0.73) F2RSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL27849021 0.85 F2R (0.72) F2REPHX1FKBP1A
SCHEMBL486536 0.85 F2R (0.73) F2RHPGD
SCHEMBL662456 0.83 F2R (1.00) F2RSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL663389 0.82 F2R (1.00) F2RSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL486133 0.81 F2R (1.00) F2RSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL662549 0.81 F2R (0.74) F2RSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL486161 0.81 F2R (1.00) F2RSMN1; SMN2RAB9ANPC1MAPT

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
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
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 — — 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-20150183773-A1 Substituted piperidines VHL, PIR, PIGO F2R 1243/4885HPGD 410/4885EPHX1 1093/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885HPGD 377/4885EPHX1 925/4885

“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.

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