SCHEMBL3034635

SCHEMBL3034635

CN1CCC(N(C)C(=O)CCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.56
CCR5 P51681 1/20 0.53
GPR119 Q8TDV5 6/20 0.52
MCHR1 Q99705 2/20 0.52
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 1/20 0.48
SLC6A5 Q9Y345 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
PKM P14618 1/20 0.46
HTR6 P50406 1/20 0.45
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL3035430 0.85 CCR5 (0.52) CCR5MCHR1HTR2AHTR2CLMNA
Hydrochloric Acid SCHEMBL3045222 0.84 CCR5 (0.51) CCR5MCHR1HTR2AHTR2CLMNA
SCHEMBL3034608 0.82 CCR5 (0.53) CCR5HTR2AHTR2CLMNAL3MBTL1
SCHEMBL4504942 0.82 LMNA (0.53) CCR5MCHR1HTR2AHTR2CLMNA
SCHEMBL2914514 0.81 HRH3 (0.58) KCNH2CCR5GPR119MCHR1HRH3
Hydrochloric Acid SCHEMBL2918916 0.80 HRH3 (0.59) KCNH2CCR5GPR119MCHR1HRH3
SCHEMBL3038919 0.80 LMNA (0.46) CCR5HTR2AHTR2CLMNAL3MBTL1
SCHEMBL17285934 0.78 HTR2A (0.52) MCHR1HTR2AHTR2CSLC6A5PKM
SCHEMBL3051138 0.77 CCR5 (0.56) CCR5LMNAL3MBTL1CYP3A4KMT2A
SCHEMBL28448148 0.76 FFAR1 (0.50) MCHR1HRH3

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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 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 (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 KCNH2 474/4885CCR5 565/4885GPR119 55/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 KCNH2 3500/4885CCR5 293/4885GPR119 3320/4885

“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.