SCHEMBL4748992

SCHEMBL4748992

COC(=O)C1CCCC(O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
BTK Q06187 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 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
SCHEMBL4748989 1.00 PPM1D (0.38) PPM1DSMN1; SMN2CHRNB2CHRNA4BTK
SCHEMBL4748991 1.00 PPM1D (0.38) PPM1DSMN1; SMN2CHRNB2CHRNA4BTK
SCHEMBL19148890 0.91 SMN1; SMN2 (0.36) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL22357286 0.91 SMN1; SMN2 (0.36) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL16167661 0.91 SMN1; SMN2 (0.36) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL1498724 0.85 CHRNB2 (0.42) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL19149236 0.85 CHRNB2 (0.42) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL1498725 0.85 CHRNB2 (0.42) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL4922240 0.84 BTK (0.44) PPM1DBTK
SCHEMBL4922245 0.84 BTK (0.44) PPM1DBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478528-A Aroyl-substituted tricyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2022-05-13 CN disclosed
WO-2008119715-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
US-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-17 US disclosed
US-7259177-B2 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed
EP-1599452-B1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-06-20 EP 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-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, ACADM PPM1D 2542/4885SMN1; SMN2 1559/4885CHRNB2 2205/4885

“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.