SCHEMBL4695552

SCHEMBL4695552

CCN1CCC(OC(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CHRM3 P20309 4/20 0.49
BCHE P06276 1/20 0.46
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
HSD11B1 P28845 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3950532 0.85 CHRM3 (0.51) SMN1; SMN2CHRM3BCHECARM1PRMT6
SCHEMBL8439712 0.83 BCHE (0.54) SMN1; SMN2CHRM3BCHECHRM2CHRM4
Hydrochloric Acid SCHEMBL2945460 0.82 SMN1; SMN2 (0.48) SMN1; SMN2CHRM3BCHECHRM2CHRM4
SCHEMBL18633797 0.82 SMN1; SMN2 (0.48) SMN1; SMN2CHRM3BCHECHRM2CHRM4
SCHEMBL16845009 0.81 SMN1; SMN2 (0.47) SMN1; SMN2CHRM3BCHECHRM2CHRM4
Hydrochloric Acid SCHEMBL10970803 0.78 SMN1; SMN2 (0.44) SMN1; SMN2CHRM3BCHEHSD11B1CARM1
SCHEMBL8948673 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CHRM3BCHEHSD11B1HRH3
SCHEMBL689679 0.77 KMT2A (0.56) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL18195631 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CHRM3BCHECHRM2CHRM4
SCHEMBL12026681 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CHRM3BCHECHRM2CHRM4

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-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
US-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER C4 THERAPEUTICS, INC. 2023-01-26 US disclosed
WO-2021083949-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 WO disclosed
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
EP-1483236-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076397-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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 (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-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER SMARCC1, SMARCC2, SMARCA2 SMN1; SMN2 336/4885CHRM3 4804/4885BCHE 4524/4885
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 SMN1; SMN2 3008/4885CHRM3 13/4885BCHE 929/4885

“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.