SCHEMBL4517650

SCHEMBL4517650

Ic1ccc(N2CCC(N3CCCC3)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAP4K4 O95819 3/20 0.41
MBTD1 Q05BQ5 1/20 0.41
ADRA1A P35348 2/20 0.40
NMT1 P30419 2/20 0.40
HRH4 Q9H3N8 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL4522600 0.93 HDAC1 (0.47) HDAC1HRH3L3MBTL3L3MBTL1MAP4K4
SCHEMBL1779679 0.82 HRH3 (0.45) HDAC1HRH3L3MBTL3L3MBTL1MAP4K4
SCHEMBL15474139 0.79 HRH3 (0.42) HDAC1HRH3L3MBTL3L3MBTL1MAP4K4
SCHEMBL1432869 0.77 MAPT (0.51)
SCHEMBL14222473 0.77 HRH4 (0.46) HRH3MAP4K4HRH4
SCHEMBL14196276 0.77 HRH4 (0.46) HRH3MAP4K4HRH4
SCHEMBL4502649 0.77 TRPV1 (0.43)
SCHEMBL4502646 0.77 TRPV1 (0.43)
SCHEMBL14223014 0.77 HRH4 (0.46) HRH3MAP4K4HRH4
Hydrochloric Acid SCHEMBL4795755 0.76 HRH4 (0.45) HRH3MAP4K4HRH4

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-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
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 HDAC1 2996/4885HRH3 153/4885L3MBTL3 1120/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R HDAC1 3190/4885HRH3 186/4885L3MBTL3 1187/4885

“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.