SCHEMBL5161709

SCHEMBL5161709

CC[C@@](O)(Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 1/20 0.41
KCNN4 O15554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5163676 1.00 TSHR (0.46) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL4295864 1.00 TSHR (0.46) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL6860953 0.79 MEN1 (0.54) TSHRSMN1; SMN2HIF1ALMNAHTT
SCHEMBL9317685 0.78 TSHR (0.48) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL7476372 0.78 TSHR (0.48) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL11444310 0.77 TSHR (0.42) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL4634423 0.77 SCN5A (0.47) TSHRL3MBTL1
Hydrochloric Acid SCHEMBL11308929 0.76 TSHR (0.46) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL3046939 0.76 TAAR1 (0.48) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL23781410 0.75 TSHR (0.50) TSHRCYP1A2CYP2C19KCNN4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117568296-A P450 hydroxylase mutant and synthetic R-halohydrin thereof 遵义医科大学 2024-02-20 CN disclosed
EP-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 EP disclosed
US-20040039014-A1 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. 2004-02-26 US disclosed
EP-1096926-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2001-05-09 EP disclosed
WO-2000002551-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2000-01-20 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-20040039014-A1 Methods and compounds for treating depression and other disorders GRIN1, GRIN2C, GRIN3B TSHR 1030/4885CYP1A2 2625/4885CYP2C19 930/4885

“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.