SCHEMBL4669145

SCHEMBL4669145

NCCN1c2ccccc2CCc2ccc(Cl)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.65
HTR2A P28223 3/20 0.65
MEN1 O00255 2/20 0.65
TP53 P04637 2/20 0.65
KMT2A Q03164 2/20 0.65
SLC22A1 O15245 2/20 0.65
CYP1A2 P05177 2/20 0.65
CHRM2 P08172 2/20 0.65
CYP2D6 P10635 2/20 0.65
CHRM1 P11229 2/20 0.65
DRD2 P14416 2/20 0.65
ADRA2B P18089 2/20 0.65
ADRA2C P18825 2/20 0.65
CHRM3 P20309 2/20 0.65
SLC6A2 P23975 2/20 0.65
HTR2C P28335 2/20 0.65
MAPK1 P28482 2/20 0.65
SLC6A4 P31645 2/20 0.65
ADRA1A P35348 2/20 0.65
HRH1 P35367 2/20 0.65

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 SCHEMBL14698925 0.98 MEN1 (0.66) CYP3A4HTR2AMEN1TP53KMT2A
SCHEMBL29485936 0.91 HTR2A (0.74) CYP3A4HTR2AMEN1TP53KMT2A
SCHEMBL14707047 0.91 HTR2A (0.74) CYP3A4HTR2AMEN1TP53KMT2A
SCHEMBL29485897 0.90 HTR2A (0.68) CYP3A4HTR2AMEN1TP53KMT2A
SCHEMBL22748895 0.90 HTR2A (0.68) CYP3A4HTR2AMEN1TP53KMT2A
Hydrochloric Acid SCHEMBL14698744 0.90 HTR2A (0.72) CYP3A4HTR2AMEN1TP53KMT2A
SCHEMBL22767581 0.89 HTR2A (0.67) CYP3A4HTR2AMEN1TP53KMT2A
SCHEMBL29485883 0.89 HTR2A (0.67) CYP3A4HTR2AMEN1TP53KMT2A
SCHEMBL8248673 0.85 HTR2A (0.79) CYP3A4HTR2AMEN1TP53KMT2A
SCHEMBL31256054 0.84 HTR2A (0.71) CYP3A4HTR2AMEN1TP53KMT2A

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
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US claimed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP claimed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO claimed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
WO-2013025882-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2013-02-21 WO disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO 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-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 CYP3A4 1910/4885HTR2A 1110/4885MEN1 3926/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 CYP3A4 1180/4885HTR2A 2157/4885MEN1 1863/4885

“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.