SCHEMBL8630769

SCHEMBL8630769

CC1(c2ccsc2)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ CHRM1 P11229 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31

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
SCHEMBL3588207 0.84 HCAR3 (0.36) HCAR3HCAR2CHRM1KIF11LPL
SCHEMBL2112005 0.78 CHRM1 (0.36) HCAR3HCAR2CHRM1BACE1KCNH2
SCHEMBL9741477 0.71 CHRM1 (0.37) HCAR3HCAR2CHRM1KIF11BACE1
SCHEMBL517588 0.70 OPRM1 (0.39) SLC6A4
SCHEMBL4765099 0.69 SLC6A4 (0.36) KIF11ALDH1A1SLC6A2SLC6A4KCNA3
SCHEMBL1664714 0.69 TSHR (0.47) CHRM1TSHRLMNASMN1; SMN2MAPT
SCHEMBL22613508 0.69 ALDH1A1 (0.45) TSHRLMNASMN1; SMN2MAPTMEN1
SCHEMBL2082178 0.67 LMNA (0.42) TSHRKCNH2LMNASMN1; SMN2MAPT
SCHEMBL9632887 0.67 HCAR3 (0.38) HCAR3HCAR2CHRM1KIF11LPL
SCHEMBL1934134 0.67 TSHR (0.36) TSHRLMNASMN1; SMN2MAPTMEN1

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
EP-3407877-B1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS GALDERMA RES & DEV (FR) 2020-03-04 — — EP disclosed
US-20090082203-A1 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]- (4-PIPERIDYL)}METHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-03-26 — — US disclosed
US-20090082203-A1 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]- (4-PIPERIDYL)}METHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-03-26 — — US disclosed
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 — — US disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 — — EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 — — 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-20090082203-A1 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]- (4-PIPERIDYL)}METHANE DERIVATIVES DDT, API5, MSL1 HCAR3 4215/4885HCAR2 4086/4885CHRM1 602/4885

“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.

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