SCHEMBL10136842

SCHEMBL10136842

Cc1csc(N2CCC(C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.49
▸ TSHR P16473 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DPP4 P27487 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ OGA O60502 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL13634230 0.81 HRH3 (0.55) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL12988798 0.81 HRH3 (0.52) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3559247 0.81 HRH3 (0.55) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3511935 0.81 L3MBTL1 (0.54) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL4472290 0.81 L3MBTL1 (0.54) HRH3L3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL22334847 0.81 RAB9A (0.44) TSHRL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL26416118 0.80 HRH3 (0.45) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL10136897 0.80 L3MBTL1 (0.49) HRH3TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL458365 0.80 HRH3 (0.48) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL4469579 0.79 SMN1; SMN2 (0.53) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A

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
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 — — US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 — — US disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 — — US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 — — US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 — — US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — 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-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HRH3 143/4885TSHR 131/4885L3MBTL1 3986/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC HRH3 1469/4885TSHR 793/4885L3MBTL1 1985/4885

“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.

Send feedback