SCHEMBL3871191

SCHEMBL3871191

CN(C)CCCNc1cc(Cl)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.56
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 4/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL7960481 0.88 FERMT2 (0.56) FERMT2GAAALDH1A1NPSR1CYP1A2
SCHEMBL11198510 0.82 CDK1 (0.42) FERMT2ALDH1A1TSHRSMN1; SMN2
SCHEMBL17678178 0.81 KDM4E (0.45) FERMT2ALDH1A1CYP1A2SMN1; SMN2FLT3
SCHEMBL16803419 0.81 SMN1; SMN2 (0.44) FERMT2ALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL8996432 0.81 FERMT2 (0.56) FERMT2GAAALDH1A1NPSR1CYP1A2
SCHEMBL3868083 0.81 FERMT2 (0.45) FERMT2GAAALDH1A1NPSR1SMN1; SMN2
SCHEMBL10099695 0.78 SMN1; SMN2 (0.43) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL17761960 0.78 LMNA (0.56) ALDH1A1NPSR1CYP1A2FLT3
SCHEMBL742145 0.78 PTGER4 (0.47) ALDH1A1NPSR1CYP1A2SMN1; SMN2
SCHEMBL4800824 0.78 KCNH2 (0.42) FERMT2GAANPSR1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538115-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-26 US disclosed
EP-1487821-B1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2007-03-21 EP disclosed
US-7026312-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-04-11 US disclosed
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-09-29 US disclosed
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2003-12-25 US 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-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX5, CALCRL, ADRA1D FERMT2 2650/4885GAA 2132/4885ALDH1A1 761/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 FERMT2 2919/4885GAA 2148/4885ALDH1A1 786/4885

“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.