SCHEMBL3046877

SCHEMBL3046877

COc1ccc(CCCC(=O)N(C)C2CCN(C)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.54
CHRM5 P08912 3/20 0.52
CHRM1 P11229 3/20 0.52
CHRM3 P20309 3/20 0.52
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HCN4 Q9Y3Q4 2/20 0.45
MAPT P10636 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL3051138 0.93 CCR5 (0.56) CCR5CHRM5CHRM1CHRM3HCRTR1
SCHEMBL3044722 0.85 ALOX5 (0.60) CCR5CHRM5CHRM1CHRM3MAPT
SCHEMBL3035425 0.81 SIGMAR1 (0.63) CCR5HCRTR1HCRTR2KMT2AMEN1
SCHEMBL3034608 0.78 CCR5 (0.53) CCR5CHRM5CHRM1CHRM3KMT2A
SCHEMBL3038895 0.76 CCR5 (0.57) CCR5KMT2AMEN1CYP3A4
SCHEMBL3055294 0.76 KMT2A (0.61) CCR5KMT2AMEN1CYP3A4
SCHEMBL2403525 0.76 CCR5 (0.64) CCR5HCRTR1HCRTR2KMT2AMEN1
SCHEMBL3042580 0.74 HRH3 (0.50) CCR5KMT2AMEN1MAPTALDH1A1
SCHEMBL3051897 0.73 POLB (0.73) CCR5KMT2AMEN1KDM4EALDH1A1
SCHEMBL3035430 0.72 CCR5 (0.52) CCR5CHRM3KMT2ACYP3A4

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 10 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-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 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-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 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 (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-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 CCR5 565/4885CHRM5 403/4885CHRM1 178/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 CCR5 293/4885CHRM5 3117/4885CHRM1 853/4885

“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.