SCHEMBL3544034

SCHEMBL3544034

Cc1ccc(Sc2ccc(F)cc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC1 Q13547 1/20 0.40
SYK P43405 1/20 0.40
HTR1A P08908 2/20 0.39
HTR3A P46098 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PDK2 Q15119 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 1/20 0.36
KDM1A O60341 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL3546005 0.95 HDAC2 (0.43) GPR119HDAC2HDAC1SYKKMT2A
SCHEMBL3539818 0.93 GPR119 (0.40) GPR119HDAC2HDAC1SYKHTR1A
SCHEMBL3549234 0.92 GPR119 (0.44) GPR119SYKHTR1AHTR3AKMT2A
SCHEMBL3548088 0.91 MEN1 (0.43) HDAC2HDAC1HTR1AKMT2AMAPT
SCHEMBL3544111 0.91 MEN1 (0.42) GPR119HDAC2HDAC1KMT2APDK2
SCHEMBL3538548 0.90 ALDH1A1 (0.43) GPR119HDAC2HDAC1ALDH1A1LMNA
SCHEMBL3543749 0.89 HDAC2 (0.39) GPR119HDAC2HDAC1SYKKMT2A
SCHEMBL3547662 0.89 LMNA (0.41) GPR119HDAC2HDAC1SYKKMT2A
SCHEMBL3542230 0.88 SYK (0.46) GPR119SYKKMT2AL3MBTL1ALDH1A1
SCHEMBL3553180 0.88 HDAC2 (0.40) GPR119HDAC2HDAC1KMT2AALDH1A1

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-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
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 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 GPR119 1617/4885HDAC2 113/4885HDAC1 259/4885

“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.