SCHEMBL3035430

SCHEMBL3035430

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR2A P28223 3/20 0.48
HTR2C P28335 2/20 0.48
LSS P48449 1/20 0.48
PKM P14618 1/20 0.47
MCHR1 Q99705 2/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 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
Hydrochloric Acid SCHEMBL3045222 0.99 CCR5 (0.51) CCR5L3MBTL1LMNACYP3A4HTR2A
SCHEMBL3034635 0.85 KCNH2 (0.56) CCR5L3MBTL1LMNACYP3A4HTR2A
SCHEMBL3034608 0.85 CCR5 (0.53) CCR5L3MBTL1LMNACYP3A4HTR2A
SCHEMBL4504942 0.84 LMNA (0.53) CCR5L3MBTL1LMNACYP3A4HTR2A
SCHEMBL3038919 0.82 LMNA (0.46) CCR5L3MBTL1LMNACYP3A4HTR2A
SCHEMBL19658495 0.80 CCR5 (0.58) CCR5L3MBTL1SIGMAR1OPRM1OPRD1
SCHEMBL3051138 0.79 CCR5 (0.56) CCR5L3MBTL1LMNACYP3A4KMT2A
SCHEMBL3045424 0.78 TRPM8 (0.53) L3MBTL1LMNACYP3A4KMT2ASIGMAR1
SCHEMBL3044722 0.78 ALOX5 (0.60) CCR5L3MBTL1LMNACYP3A4HTR2A
SCHEMBL3051106 0.78 KDM4E (0.60) L3MBTL1LMNACYP3A4PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 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-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
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 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 (3 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CCR5 723/4885L3MBTL1 2478/4885LMNA 4318/4885
US-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 CCR5 565/4885L3MBTL1 3597/4885LMNA 3641/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CCR5 415/4885L3MBTL1 4866/4885LMNA 2903/4885

“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.