SCHEMBL3450765

SCHEMBL3450765

[CH2]c1ccc(C#CCN2CCN(C(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
GPR4 P46093 4/20 0.50
HRH3 Q9Y5N1 3/20 0.49
CTSK P43235 1/20 0.45
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.37
GRIN2B Q13224 2/20 0.36
GRIN1 Q05586 1/20 0.36
DRD2 P14416 1/20 0.35
GRM5 P41594 1/20 0.35
SLC6A4 P31645 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL3450624 0.83 LMNA (0.58) LMNAHRH3CTSKMAPK1RAB9A
SCHEMBL3452182 0.83 LMNA (0.58) LMNAGPR4HRH3CTSKMAPK1
SCHEMBL3450947 0.80 LMNA (0.58) LMNAHRH3MAPK1RAB9AALDH1A1
SCHEMBL3453099 0.79 LMNA (0.79) LMNAHRH3ALDH1A1
SCHEMBL3450772 0.77 LMNA (0.53) LMNAHRH3CTSKMAPK1RAB9A
SCHEMBL3452869 0.76 LMNA (0.53) LMNAHRH3MAPK1RAB9AGRIN2B
SCHEMBL3453065 0.74 LMNA (0.54) LMNAHRH3MAPK1RAB9AGRIN2B
SCHEMBL3450190 0.74 LMNA (0.54) LMNAHRH3MAPK1RAB9AGRIN2B
SCHEMBL3451363 0.72 LMNA (0.45) LMNAMAPK1RAB9AALDH1A1POLB
SCHEMBL3451388 0.72 GRIN1 (0.53) LMNAGRIN2BGRIN1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2009-09-10 US disclosed
US-7544688-B2 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2009-06-09 US disclosed
EP-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20060142575-A1 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 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-20090227596-A1 HETEROARYL NITRILE DERIVATIVES CTSK, CTSS, CTSZ LMNA 3229/4885GPR4 1795/4885HRH3 1245/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE LMNA 3123/4885GPR4 1210/4885HRH3 584/4885

“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.