SCHEMBL3038895

SCHEMBL3038895

COc1cccc(CCC(=O)N(C)C2CCN(C)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.57
SIGMAR1 Q99720 5/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
OPRM1 P35372 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47

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
SCHEMBL3034608 0.86 CCR5 (0.53) CCR5SIGMAR1KMT2AOPRM1LMNA
SCHEMBL3051138 0.83 CCR5 (0.56) CCR5SIGMAR1KMT2AMEN1POLB
SCHEMBL3044722 0.79 ALOX5 (0.60) CCR5SIGMAR1OPRM1LMNAL3MBTL1
SCHEMBL3035425 0.79 SIGMAR1 (0.63) CCR5SIGMAR1KMT2AMEN1POLB
SCHEMBL2404816 0.78 CCR5 (0.66) CCR5SIGMAR1KMT2AMEN1POLB
SCHEMBL30804752 0.77 MCHR1 (0.53) KMT2AMEN1POLBL3MBTL1
SCHEMBL30804735 0.77 MCHR1 (0.53) KMT2AMEN1POLBL3MBTL1
SCHEMBL3051106 0.77 KDM4E (0.60) SIGMAR1KMT2APOLBLMNAL3MBTL1
SCHEMBL3055294 0.77 KMT2A (0.61) CCR5SIGMAR1KMT2AMEN1POLB
SCHEMBL3046877 0.76 CCR5 (0.54) CCR5KMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP claimed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP 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-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 CCR5 565/4885SIGMAR1 142/4885KMT2A 513/4885

“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.