SCHEMBL14021971

SCHEMBL14021971

Cc1cc(CCC(C)C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
KCNQ2 O43526 1/20 0.40
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
GRM5 P41594 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
FFAR1 O14842 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
SYK P43405 1/20 0.34
GRM2 Q14416 1/20 0.34
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
DYRK1A Q13627 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 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
SCHEMBL22240303 0.84 CHRNB2 (0.42) UHRF1KCNQ2NOS3NOS1NOS2
SCHEMBL4355540 0.83 UHRF1 (0.54) UHRF1KCNQ2NOS3NOS1NOS2
SCHEMBL24322125 0.83 UHRF1 (0.42) UHRF1KCNQ2NOS3NOS1NOS2
SCHEMBL487712 0.80 UHRF1 (0.46) UHRF1KCNQ2NOS3NOS1NOS2
SCHEMBL4358691 0.79 UHRF1 (0.50) UHRF1KCNQ2NOS3NOS1NOS2
SCHEMBL11809448 0.79 NOS3 (0.58) NOS3NOS1NOS2HRH4AAK1
SCHEMBL12880427 0.79 LOXL2 (0.53) KCNQ2HRH4FFAR1AAK1SYK
SCHEMBL487318 0.78 UHRF1 (0.48) UHRF1KCNQ2NOS3NOS1NOS2
SCHEMBL22240186 0.78 UHRF1 (0.37) UHRF1KCNQ2NOS3NOS1NOS2
SCHEMBL20901334 0.76 UHRF1 (0.46) UHRF1KCNQ2NOS3NOS1NOS2

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-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 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 (4 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-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF UHRF1 648/4885KCNQ2 4485/4885NOS3 3935/4885
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C UHRF1 3519/4885KCNQ2 224/4885NOS3 2002/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF UHRF1 648/4885KCNQ2 4485/4885NOS3 3935/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C UHRF1 4693/4885KCNQ2 437/4885NOS3 1729/4885

“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.