SCHEMBL12697235

SCHEMBL12697235

Cc1ccc(OC(C)C)c(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
CSNK2A1 P68400 2/20 0.49
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP3A4 P08684 1/20 0.37
POLB P06746 2/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL16174512 0.83 FFAR4 (0.49) CSNK2A1FFAR1FFAR4TSHRSMN1; SMN2
SCHEMBL11959809 0.81 FFAR4 (0.45) NOS3NOS1CSNK2A1FFAR1FFAR4
SCHEMBL12180330 0.81 FFAR4 (0.48) CSNK2A1FFAR1FFAR4TSHRSMN1; SMN2
SCHEMBL19289100 0.80 SLC6A4 (0.53) FFAR1FFAR4TSHRSMN1; SMN2USP2
SCHEMBL12695021 0.80 CSNK2A1 (0.47) NOS3NOS1CSNK2A1TSHRALDH1A1
SCHEMBL6490259 0.80 CSNK2A1 (0.56) NOS3NOS1CSNK2A1FFAR4TSHR
SCHEMBL20472358 0.80 CSNK2A1 (0.47) NOS3NOS1CSNK2A1SLC6A2SLC6A4
SCHEMBL12697234 0.79 SLC6A4 (0.44) CSNK2A1FFAR1FFAR4TSHRSMN1; SMN2
SCHEMBL2386941 0.79 ACHE (0.56) TSHRTAAR1USP2HPGDNPSR1
SCHEMBL28139354 0.77 CSNK2A1 (0.45) NOS3NOS1CSNK2A1TSHRNPSR1

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
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 NOS3 4071/4885NOS1 4503/4885CSNK2A1 1937/4885

“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.