SCHEMBL3046879

SCHEMBL3046879

Cc1cc(SCC(=O)N(C)C2CCN(C)CC2)c(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR5 P51681 3/20 0.37

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
SCHEMBL3045304 0.83 HTR2A (0.45) ALDH1A1POLBKMT2ACCR5
SCHEMBL3047400 0.76 ALDH1A1 (0.47) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL30522694 0.75 ALDH1A1 (0.47) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL28483843 0.75 ALDH1A1 (0.47) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL3038887 0.73 KMT2A (0.47) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL3053627 0.71 POLB (0.52) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL14818013 0.70 CNR2 (0.54) LMNATSHRL3MBTL1
SCHEMBL12789744 0.68 KMT2A (0.47) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL4377334 0.67 USP2 (0.52) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL10268557 0.66 KMT2A (0.48) ALDH1A1POLBKMT2ALMNAKDM4E

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 9 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-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-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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 ALDH1A1 1738/4885POLB 3807/4885KMT2A 3010/4885
US-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 ALDH1A1 1285/4885POLB 3476/4885KMT2A 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.