SCHEMBL2325547

SCHEMBL2325547

Cc1c(CN2CCCC2)ccc(N)c1N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 1/20 0.53
ACHE P22303 2/20 0.44
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 2/20 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
SCHEMBL6735190 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ATSHRACHE
SCHEMBL11617290 0.74 KMT2A (0.50) ALDH1A1MEN1KMT2ATSHRACHE
SCHEMBL2034842 0.72 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRACHE
SCHEMBL6668274 0.72 ADORA2A (0.48) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9609631 0.71 ACHE (0.60) ALDH1A1MEN1KMT2ATSHRACHE
SCHEMBL6347632 0.70 ACHE (0.64) ALDH1A1MEN1KMT2ATSHRACHE
SCHEMBL6271150 0.70 ACHE (0.69) ALDH1A1KMT2ATSHRACHEKDM4E
SCHEMBL21400926 0.70 KMT2A (0.53) ALDH1A1MEN1KMT2ATSHRACHE
SCHEMBL6796332 0.70 MEN1 (0.97) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL1641681 0.69 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed
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
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 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
EP-1558578-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US disclosed
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO 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 (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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ALDH1A1 3188/4885MEN1 1049/4885KMT2A 1110/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R ALDH1A1 2991/4885MEN1 1190/4885KMT2A 1095/4885
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX5, CALCRL, ADRA1D ALDH1A1 761/4885MEN1 1141/4885KMT2A 4809/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 ALDH1A1 786/4885MEN1 1200/4885KMT2A 4767/4885

“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.