SCHEMBL4815949

SCHEMBL4815949

C#CCNc1cccc(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 1/20 0.64
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
ACHE P22303 1/20 0.42
KCNH3 Q9ULD8 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL20474241 0.87 KCNH3 (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL969407 0.84 MAPT (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30726074 0.81 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9781825 0.80 CYP1A2 (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11269588 0.80 MAPT (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8373327 0.79 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29612398 0.79 MAPT (0.75) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9396667 0.79 MAPT (0.75) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7650570 0.78 HPGD (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4816942 0.78 GRM5 (0.51) MAPTCYP3A4HTTHSD17B10ALDH1A1

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
CN-104973999-A Novel method for preparing allene by cesium hydroxide catalysis UNIV HUNAN 2015-10-14 CN claimed
CN-104973999-A Novel method for preparing allene by cesium hydroxide catalysis UNIV HUNAN 2015-10-14 CN disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
EP-0161480-B1 N-IODINE PROPARGYL-CHLOROMETHANESULFONAMIDE BAYER AG (DE) 1987-06-03 EP disclosed
EP-0161480-A1 N-iodine propargyl-chloromethanesulfonamide BAYER AG (DE) 1985-11-21 EP 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 MAPT 2427/4885CYP1A2 2708/4885CYP3A4 1811/4885

“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.