Sugi Predict

Sugi Predict / Compounds / SCHEMBL3544718

SCHEMBL3544718

SCHEMBL3544718

Cc1ccc(Sc2c(F)cccc2C2CCNCC2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 12/20 0.49
▸ SLC6A4 P31645 8/20 0.49
▸ HTR3A P46098 8/20 0.49
▸ SLC6A2 P23975 6/20 0.49
▸ SLC6A3 Q01959 4/20 0.49
▸ HTR2C P28335 8/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ ADRB2 P07550 2/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ HRH2 P25021 2/20 0.43
▸ HTR1B P28222 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ HRH1 P35367 2/20 0.43
▸ HTR5A P47898 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ PTGS1 P23219 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL3540434 0.91 HTR1A (0.42) HTR1ASLC6A4HTR3ASLC6A2SLC6A3
SCHEMBL19404494 0.81 HTR1A (0.56) HTR1ASLC6A4HTR3ASLC6A2SLC6A3
SCHEMBL3546485 0.79 HTR1A (0.52) HTR1ASLC6A4HTR3ASLC6A2SLC6A3
SCHEMBL3538118 0.79 SLC6A4 (0.50) HTR1ASLC6A4HTR3ASLC6A2SLC6A3
SCHEMBL3551241 0.77 SLC6A2 (0.47) HTR1ASLC6A4HTR3ASLC6A2SLC6A3
SCHEMBL3545139 0.76 HTR1A (0.47) HTR1ASLC6A4HTR3ASLC6A2SLC6A3
SCHEMBL3540648 0.76 SLC6A4 (0.50) HTR1ASLC6A4HTR3ASLC6A2SLC6A3
SCHEMBL3540439 0.76 DRD4 (0.38) HTR1ASLC6A4HTR3AHTR2CCYP1A2
SCHEMBL3547271 0.74 HTR1A (0.49) HTR1ASLC6A4HTR3ASLC6A2SLC6A3
SCHEMBL10266582 0.74 SLC6A2 (0.58) HTR1ASLC6A4SLC6A2SLC6A3HTR2C

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 4 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
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 — — US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 — — EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 — — 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 (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 HTR1A 11/4885SLC6A4 14/4885HTR3A 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.