SCHEMBL1630261

SCHEMBL1630261

CN1CCN(CCCN(C=O)c2ccc(-c3ccccc3C#N)nc2NCCc2cccc(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.37
PGK1 P00558 2/20 0.34
KISS1R Q969F8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
OPRM1 P35372 5/20 0.34
OPRD1 P41143 5/20 0.34
CTSK P43235 1/20 0.33
KCNH2 Q12809 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ACP1 P24666 1/20 0.33
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ADORA2A P29274 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL1630640 0.86 CSNK2A2 (0.33) CCNT1ADORA2A
SCHEMBL1630587 0.86 RAB9A (0.35) CCNT1CTSKKCNH2ADORA2A
SCHEMBL1632805 0.86 TAAR1 (0.39) ADORA2A
SCHEMBL1632239 0.85 MAPT (0.33) CCNT1ADORA2A
SCHEMBL1630812 0.84 NPC1 (0.36) CCNT1ADORA2A
SCHEMBL1633075 0.83 ADORA2A (0.34) ADORA2A
SCHEMBL1631594 0.82 GPR84 (0.33) KISS1RADORA2A
SCHEMBL1632649 0.82 PRKCQ (0.35) ACP1ADORA2A
SCHEMBL1630790 0.82 GBA1 (0.35) ADORA2A
SCHEMBL1630613 0.82 NPC1 (0.35) KISS1ROPRM1OPRD1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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 (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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CCNT1 3592/4885PGK1 1709/4885KISS1R 4649/4885

“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.