SCHEMBL15933111

SCHEMBL15933111

COC[C@H]1CN(C(c2ccc(Cl)cc2)c2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
EPHX2 P34913 2/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ABCC9 O60706 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
CNR1 P21554 2/20 0.37

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
SCHEMBL15929802 0.95 SLC6A9 (0.38) SLC6A9CYP2D6CYP2C9SLC6A5EGLN1
SCHEMBL2522593 0.91 CYP2C9 (0.40) SLC6A9CYP2D6CYP2C9SLC6A5EPHX2
SCHEMBL2516280 0.89 SLC6A9 (0.43) SLC6A9CYP2D6CYP2C9SLC6A5EPHX2
SCHEMBL5258357 0.89 SLC6A9 (0.43) SLC6A9CYP2D6CYP2C9SLC6A5EPHX2
SCHEMBL5255473 0.86 EPHX2 (0.41) SLC6A9CYP2D6CYP2C9SLC6A5EPHX2
SCHEMBL2517127 0.86 EPHX2 (0.41) SLC6A9CYP2D6CYP2C9SLC6A5EPHX2
SCHEMBL5252394 0.84 TP53 (0.41) SLC6A9CYP2D6CYP2C9SLC6A5EPHX2
SCHEMBL2516227 0.84 TP53 (0.41) SLC6A9CYP2D6CYP2C9SLC6A5EPHX2
SCHEMBL2517186 0.84 TP53 (0.41) SLC6A9CYP2D6CYP2C9SLC6A5EPHX2
SCHEMBL5250135 0.84 TP53 (0.41) SLC6A9CYP2D6CYP2C9SLC6A5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040738-B2 Intermediate compounds of tamiflu, methods of preparation and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-07 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-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF NNMT, FLT3, TPMT SLC6A9 3534/4885CYP2D6 155/4885CYP2C9 66/4885

“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.