SCHEMBL646461

SCHEMBL646461

ClCc1ccc(Oc2ncccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
APAF1 O14727 1/20 0.57
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 3/20 0.44
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
SCN9A Q15858 1/20 0.39
P2RX3 P56373 1/20 0.38

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 SCHEMBL3540123 0.98 MEN1 (0.55) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL9106300 0.80 MEN1 (0.57) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL9106305 0.80 MEN1 (0.57) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL645357 0.80 LTA4H (0.59) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL646795 0.79 LTA4H (0.50) ALDH1A1KDM4ENPC1P2RX3TTR
SCHEMBL30657586 0.79 MEN1 (0.49) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL27094840 0.79 MEN1 (0.49) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL8551187 0.78 ST14 (0.48) MEN1KMT2AALDH1A1TSHRTTR
SCHEMBL1338731 0.78 ST14 (0.48) MEN1KMT2AALDH1A1TSHRTTR
SCHEMBL9109045 0.77 MEN1 (0.53) MEN1KMT2AAPAF1LMNASMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-7683070-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION (US) 2010-03-23 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
US-7365082-B2 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines BAYER CROPSCIENCE AG (DE) 2008-04-29 US disclosed
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2008-04-17 US disclosed
EP-1572668-A4 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORP (US) 2006-12-06 EP disclosed
EP-1572207-A4 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORP (US) 2006-11-29 EP disclosed
US-20060166962-A1 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines FMC CORPORATION 2006-07-27 US disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION 2006-06-22 US disclosed
EP-1572207-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2005-09-14 EP disclosed
EP-1572668-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2005-09-14 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 WO disclosed
WO-2004060865-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2004-07-22 WO disclosed
WO-2004060371-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2004-07-22 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 (4 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-20060166962-A1 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines DDT, DRD4, DRD1 MEN1 2452/4885KMT2A 650/4885APAF1 2803/4885
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR MEN1 2174/4885KMT2A 614/4885APAF1 3465/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR MEN1 2020/4885KMT2A 780/4885APAF1 3507/4885
US-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 MEN1 822/4885KMT2A 1219/4885APAF1 2785/4885

“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.