SCHEMBL6525344

SCHEMBL6525344

O=c1c2ccccc2[nH]c(=S)n1CCN1CCC([C@@H](O)c2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.69
▸ CYP3A4 P08684 3/20 0.69
▸ HPGD P15428 3/20 0.69
▸ CYP2D6 P10635 3/20 0.69
▸ CYP1A2 P05177 2/20 0.69
▸ HTR1A P08908 2/20 0.69
▸ CYP2C9 P11712 2/20 0.69
▸ DRD2 P14416 2/20 0.69
▸ HTR2C P28335 2/20 0.69
▸ TSHR P16473 2/20 0.69
▸ MAPT P10636 2/20 0.63
▸ HIF1A Q16665 2/20 0.63
▸ DGKA P23743 1/20 0.63
▸ DGKG P49619 1/20 0.63
▸ ALDH1A1 P00352 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ KMT2A Q03164 2/20 0.59
▸ MPO P05164 1/20 0.59
▸ CYP2C19 P33261 2/20 0.55

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
SCHEMBL6525350 1.00 HTR2A (0.69) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL3429384 1.00 HTR2A (0.69) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL22738404 0.90 KDM4E (0.60) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL25766229 0.90 HTR2A (0.68) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL431162 0.90 HTR2A (0.68) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL10736627 0.88 CYP2D6 (0.54) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL22738453 0.88 HTR2A (0.54) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL3428187 0.88 HTR2A (0.54) HTR2ACYP3A4HPGDCYP2D6CYP1A2
Acetic Acid SCHEMBL11011364 0.86 CYP3A4 (0.66) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL9697178 0.82 HTR2A (0.56) HTR2ACYP3A4HPGDCYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834555-B2 Method for treating pain syndrome and other disorders VM Therapeutics LLC. (US) 2017-12-05 — — US disclosed
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM THERAPEUTICS LLC (US) 2016-11-03 — — US disclosed
US-9402848-B2 Method for treating pain syndrome and other disorders VM THERAPEUTICS LLC (US) 2016-08-02 — — US disclosed
US-20150150875-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY, INC. 2015-06-04 — — US disclosed
US-8980900-B2 Method for treating pain syndrome and other disorders VM Therapeutics, LLC. (US) 2015-03-17 — — US disclosed
US-20140378476-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY, INC. 2014-12-25 — — US disclosed
US-8865727-B2 Method for treating pain syndrome and other disorders VM THERAPEUTICS LLC (US) 2014-10-21 — — US disclosed
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY INC. (US) 2011-03-03 — — 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-20140378476-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2A 606/4885CYP3A4 4426/4885HPGD 1616/4885
US-20150150875-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2A 606/4885CYP3A4 4426/4885HPGD 1616/4885
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2A 606/4885CYP3A4 4426/4885HPGD 1616/4885
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2A 606/4885CYP3A4 4426/4885HPGD 1616/4885

“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.

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