SCHEMBL3546809

SCHEMBL3546809

Cc1cccc(Sc2ccccc2C2CCNCC2)c1C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.67
HTR1A P08908 7/20 0.55
HTR3A P46098 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
HTR6 P50406 2/20 0.47
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL2469257 0.89 HTR2C (0.67) HTR2CHTR1AHTR3ACYP1A2CYP3A4
SCHEMBL3543522 0.85 HTR2C (0.55) HTR2CHTR1AHTR3ACYP1A2CYP3A4
SCHEMBL3549082 0.84 HTR2C (0.54) HTR2CHTR1AHTR3ACYP1A2CYP3A4
SCHEMBL3419684 0.81 HTR2C (0.52) HTR2CHTR1AHTR3ACYP1A2CYP3A4
SCHEMBL5584737 0.81 HTR2C (1.00) HTR2CHTR1AHTR6SLC6A2SLC6A4
SCHEMBL3421798 0.80 HTR2C (0.51) HTR2CHTR1AHTR3ACYP1A2CYP3A4
SCHEMBL19404494 0.80 HTR1A (0.56) HTR2CHTR1AHTR3ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL21855666 0.79 HTR2C (1.00) HTR2CHTR1AHTR6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL31109384 0.79 HTR2C (1.00) HTR2CHTR1AHTR6SLC6A2SLC6A4
SCHEMBL3544453 0.79 HTR2C (0.50) HTR2CHTR1AHTR3ACYP1A2CYP3A4

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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 US claimed
EP-2564837-B1 ENTERIC TABLET TAKEDA PHARMACEUTICALS CO (JP) 2019-01-30 EP disclosed
US-8920840-B2 Enteric tablet TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
CN-103096879-B Enteric coated tablet TAKEDA PHARMACEUTICAL 2014-12-10 CN disclosed
US-20130115291-A1 ENTERIC TABLET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-09 US disclosed
CN-103096879-A Enteric coated tablet TAKEDA PHARMACEUTICAL 2013-05-08 CN disclosed
EP-2564837-A1 ENTERIC TABLET Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 HTR2C 4/4885HTR1A 11/4885HTR3A 22/4885

“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.