SCHEMBL12860871

SCHEMBL12860871

CCOSC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
MIF P14174 1/20 0.37
MMP8 P22894 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20312933 0.75 SMN1; SMN2 (0.46) SLC6A3CYP2D6SLC6A4LMNAPOLB
SCHEMBL2874877 0.74 TSHR (0.43) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12550455 0.71 SMN1; SMN2 (0.47) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12774635 0.70 SLC6A3 (0.56) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10743810 0.70 LMNA (0.42) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3956655 0.68 TSHR (0.46) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4055535 0.67 ALDH1A1 (0.49) SLC6A3CYP3A4CYP2D6LMNATDP1
SCHEMBL17429837 0.67 SLC6A3 (0.63) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27191 0.65 ACHE (0.47) SLC6A3CYP1A2CYP2D6TSHRSLC6A4
SCHEMBL3992907 0.65 SCN1A (0.55) SLC6A3CYP1A2CYP2D6TSHRSLC6A4

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-7884135-B2 via fast disintegrating tablets, mucoadhesive films; pharmacokinetics NEUROHEALING PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20090318559-A1 MODAFINIL-BASED TREATMENT FOR PREMATURE EJACULATION NEURO-HEALING PHARMACEUTICALS, INC. 2009-12-24 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-20090318559-A1 MODAFINIL-BASED TREATMENT FOR PREMATURE EJACULATION KLK3, NASP, TES SLC6A3 20/4885CYP1A2 792/4885CYP3A4 543/4885

“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.