SCHEMBL3544820

SCHEMBL3544820

CONC(=O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
LOX P28300 2/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
TRPM8 Q7Z2W7 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
Methyl Nicotinate SCHEMBL28332988 0.85 ALDH1A1 (0.57) PTPN1
SCHEMBL2224785 0.82 P2RX7 (0.49) PTPN1TRPV1SLC6A3KCNH2TAAR1
SCHEMBL1317978 0.82 MAPK1 (0.59) PTPN1TRPV4
SCHEMBL3550941 0.82 BAZ2B (0.51) PTPN1TRPV1SLC6A3KCNH2TAAR1
Hydrochloric Acid SCHEMBL28637532 0.81 P2RX7 (0.47) PTPN1TRPV1SLC6A3KCNH2TAAR1
SCHEMBL30516118 0.80 HDAC6 (0.56) TRPV1SLC6A3KCNH2TAAR1
SCHEMBL29045114 0.80 HDAC6 (0.56) TRPV1SLC6A3KCNH2TAAR1
SCHEMBL13701813 0.79 LMNA (0.46) PTPN1TRPV1SLC6A3KCNH2TAAR1
SCHEMBL22915155 0.78 HSP90AA1 (0.49) PTPN1TRPV1CYP1A2
SCHEMBL30643074 0.78 HSP90AA1 (0.49) PTPN1TRPV1CYP1A2

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-7851638-B2 Cyclohexanesulfonyl derivatives as GLYT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME LIMITED (GB) 2010-12-14 US disclosed
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (UK) LIMITED (GB) 2010-02-04 US disclosed
US-7626056-B2 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents MERCK SHARP & DOHME LIMITED (GB) 2009-12-01 US disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 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 (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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 PTPN1 3253/4885LOX 2349/4885LOXL2 2201/4885
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 PTPN1 3253/4885LOX 2349/4885LOXL2 2201/4885

“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.