SCHEMBL3724032

SCHEMBL3724032

CC(C)(C)N1CCN(CC#Cc2cncc(-c3cc(NCc4ccccc4)nc(-c4ccccn4)c3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 10/20 0.39
F2 P00734 1/20 0.35
GRM5 P41594 1/20 0.35
ACHE P22303 1/20 0.34
CDK9 P50750 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PPP1CA P62136 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH1 P35367 1/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL3716806 0.90 FYN (0.34) CDK9HRH4ALDH1A1SMN1; SMN2HRH1
SCHEMBL3726295 0.89 ACHE (0.42) GPR39GRM5ACHEPPP1CASMN1; SMN2
SCHEMBL3723915 0.87 CYP1A2 (0.36) GPR39GRM5CYP1A2CYP2D6
SCHEMBL3723884 0.79 ACHE (0.38) ACHEHRH4ALDH1A1SMN1; SMN2HRH1
SCHEMBL3720880 0.75 GPR39 (0.38) GPR39GRM5CYP2D6
SCHEMBL3721182 0.74 GRM5 (0.36) GRM5CYP2D6
SCHEMBL3664081 0.73 GPR39 (0.49) GPR39ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3727474 0.73 GPR39 (0.47) GPR39ACHECDK9
SCHEMBL3722419 0.73 GPR39 (0.48) GPR39ACHE
SCHEMBL3662804 0.72 CYP3A4 (0.58) GPR39ALDH1A1CYP1A2CYP3A4CYP2D6

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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 (1 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK GPR39 222/4885F2 301/4885GRM5 4235/4885

“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.