SCHEMBL3451776

SCHEMBL3451776

[CH2]c1ccc(C#CCN2CCC(C(=O)N(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GRIN1 Q05586 6/20 0.42
GRIN2B Q13224 2/20 0.42
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
LTA4H P09960 2/20 0.38
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ACKR3 P25106 1/20 0.36
MLNR O43193 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
SCHEMBL3450909 0.84 LMNA (0.49) LMNAGRIN1GRIN2BMAPK1RAB9A
SCHEMBL3450190 0.78 LMNA (0.54) LMNAGRIN1GRIN2BMAPK1RAB9A
SCHEMBL3451388 0.76 GRIN1 (0.53) LMNAGRIN1GRIN2B
SCHEMBL3992382 0.75 LMNA (0.50) LMNAGRIN1GRIN2BMAPK1RAB9A
SCHEMBL3450772 0.75 LMNA (0.53) LMNAGRIN1GRIN2BMAPK1RAB9A
SCHEMBL3450982 0.73 LMNA (0.51) LMNAGRIN1GRIN2B
SCHEMBL3452182 0.72 LMNA (0.58) LMNAGRIN1GRIN2BMAPK1RAB9A
SCHEMBL3450624 0.72 LMNA (0.58) LMNAGRIN1GRIN2BMAPK1RAB9A
SCHEMBL3450947 0.72 LMNA (0.58) LMNAGRIN1GRIN2BMAPK1RAB9A
SCHEMBL3453099 0.72 LMNA (0.79) LMNAHRH3

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 3229/4885GRIN1 2181/4885GRIN2B 2972/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE LMNA 3123/4885GRIN1 2145/4885GRIN2B 2838/4885

“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.