SCHEMBL252679

SCHEMBL252679

CC(CS(N)(=O)=O)c1ccc2[nH]cc(C3CCN(C)CC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.60
HTR1B P28222 12/20 0.60
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
THPO P40225 1/20 0.57
HTR1A P08908 2/20 0.56
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTR1F P30939 1/20 0.53
HTR6 P50406 3/20 0.52
APP P05067 1/20 0.52

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
SCHEMBL9875206 0.85 HTR1D (0.60) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL4540063 0.81 HTR1D (0.60) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8915192 0.81 CYP1A2 (0.68) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9764720 0.81 HTR1D (0.66) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL252678 0.81 HTR1D (0.62) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL3222849 0.80 HTR1D (0.77) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL4541547 0.80 HTR1D (0.77) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8416068 0.80 HTR1D (0.62) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9764506 0.79 HTR1D (0.65) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9874164 0.76 HTR1D (0.68) HTR1DHTR1BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400986-B1 ENHANCED MIGRAINE TREATMENTS BASED ON GHRELIN MIMETICS HELSINN HEALTHCARE SA (CH) 2015-10-14 EP disclosed
EP-2838517-A1 ORALLY AVAILABLE PHARMACEUTICAL FORMULATION SUITABLE FOR IMPROVED MANAGEMENT OF MOVEMENT DISORDERS Contera Pharma APS (DK) 2015-02-25 EP disclosed
US-8673947-B2 Enhanced migraine treatments based on ghrelin mimetics HELSINN THERAPEUTICS (U.S.), INC. (US) 2014-03-18 US disclosed
US-20130289068-A1 ENHANCED MIGRAINE TREATMENTS BASED ON GHRELIN MIMETICS HELSINN THERAPEUTICS (U.S.), INC. (US) 2013-10-31 US disclosed
WO-2013156035-A1 ORALLY AVAILABLE PHARMACEUTICAL FORMULATION SUITABLE FOR IMPROVED MANAGEMENT OF MOVEMENT DISORDERS CONCIT PHARMA APS (DK) 2013-10-24 WO disclosed
US-8486976-B2 Enhanced migraine treatments based on ghrelin mimetics HELSINN THERAPEUTICS (U.S.), INC. (US) 2013-07-16 US disclosed
EP-2400986-A1 ENHANCED MIGRAINE TREATMENTS BASED ON GHRELIN MIMETICS Helsinn Therapeutics (U.S.), Inc. (US) 2012-01-04 EP disclosed
US-20100222388-A1 Enhanced Migraine Treatments Based on Ghrelin Mimetics HELSINN THERAPEUTICS (U.S.), INC. (US) 2010-09-02 US disclosed
WO-2010099522-A1 ENHANCED MIGRAINE TREATMENTS BASED ON GHRELIN MIMETICS HELSINN THERAPEUTICS (U.S.), INC. (US) 2010-09-02 WO 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 (2 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-20130289068-A1 ENHANCED MIGRAINE TREATMENTS BASED ON GHRELIN MIMETICS HTR1E, HTR1B, HTR3B HTR1D 6/4885HTR1B 2/4885CYP1A2 1966/4885
US-20100222388-A1 Enhanced Migraine Treatments Based on Ghrelin Mimetics HTR1E, HTR1B, HTR3B HTR1D 6/4885HTR1B 2/4885CYP1A2 1966/4885

“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.