SCHEMBL1934486

SCHEMBL1934486

COC(=O)C1CCCCC1CO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL30472636 1.00 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL30472587 1.00 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL4135152 0.96 CHRM2 (0.43) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL4135155 0.96 CHRM2 (0.43) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL4135157 0.96 CHRM2 (0.43) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL7318569 0.96 CHRM2 (0.43) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL228643 0.88 CHRM2 (0.42) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL17718015 0.88 CHRM2 (0.42) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL16699878 0.88 CHRM2 (0.42) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL228642 0.88 CHRM2 (0.42) CHRM2CHRM4CHRM3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118253-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-06-29 WO disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
US-4879392-A Process for making perhydroindole-2-carbonxylic acid ROUSSEL UCLAF (FR) 1989-11-07 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 SLC6A2 3081/4885SLC6A4 2500/4885CHRM2 2391/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 SLC6A2 3081/4885SLC6A4 2500/4885CHRM2 2391/4885

“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.