SCHEMBL4517684

SCHEMBL4517684

Ic1ccc(C#CCN2CCCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.81
HRH3 Q9Y5N1 10/20 0.52
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
GRIN2B Q13224 2/20 0.41
GRIN1 Q05586 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL18926546 0.90 LMNA (1.00) LMNAHRH3MAPK1RAB9AGRIN2B
SCHEMBL22422293 0.88 LMNA (0.96) LMNAHRH3ALDH1A1KDM4EGAA
SCHEMBL12203973 0.81 LMNA (0.81) LMNAHRH3GRIN1ALDH1A1MEN1
SCHEMBL4501961 0.81 LMNA (0.81) LMNAHRH3MAPK1RAB9AGRIN2B
SCHEMBL14485306 0.81 LMNA (0.81) LMNAHRH3MAPK1RAB9AGRIN2B
SCHEMBL3453099 0.80 LMNA (0.79) LMNAHRH3ALDH1A1KDM4EGAA
SCHEMBL5730258 0.80 LMNA (0.79) LMNAHRH3GRIN1ALDH1A1MEN1
SCHEMBL5730065 0.79 LMNA (0.78) LMNAHRH3MAPK1RAB9AGRIN2B
SCHEMBL7448047 0.78 LMNA (0.75) LMNAHRH3MAPK1RAB9AALDH1A1
SCHEMBL5894352 0.76 LMNA (0.71) LMNAHRH3GRIN1ALDH1A1KMT2A

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 4 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
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
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

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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 LMNA 3002/4885HRH3 153/4885MAPK1 3216/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R LMNA 3538/4885HRH3 186/4885MAPK1 2560/4885

“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.