SCHEMBL5750271

SCHEMBL5750271

c1ccc(CN2CC3CCC(C3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.56
SIGMAR1 Q99720 1/20 0.54
ACHE P22303 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCR3 P51677 1/20 0.50
CXCR3 P49682 1/20 0.50
ALDH1A1 P00352 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
BCHE P06276 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL21793953 1.00 FUCA1 (0.56) FUCA1SIGMAR1ACHECHRM2CHRM4
SCHEMBL21793950 1.00 FUCA1 (0.56) FUCA1SIGMAR1ACHECHRM2CHRM4
SCHEMBL20488466 0.92 FUCA1 (0.60) FUCA1SIGMAR1ACHECHRM2CHRM4
SCHEMBL6202941 0.92 FUCA1 (0.60) FUCA1SIGMAR1ACHECYP1A2CYP3A4
SCHEMBL2955795 0.92 FUCA1 (0.60) FUCA1SIGMAR1ACHECHRM2CHRM4
SCHEMBL6202706 0.91 ACHE (0.56) FUCA1SIGMAR1ACHECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL20488123 0.90 FUCA1 (0.58) FUCA1SIGMAR1ACHECHRM2CHRM4
SCHEMBL9271837 0.84 FUCA1 (0.49) FUCA1SIGMAR1ACHECHRM2CHRM4
SCHEMBL6201856 0.83 FUCA1 (0.51) FUCA1SIGMAR1ACHECYP1A2CYP3A4
SCHEMBL9263062 0.83 FUCA1 (0.51) FUCA1SIGMAR1ACHECHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-3902779-B1 PROCESS FOR THE PREPARATION EXO-TERT-BUTYL N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)CARBAMATE HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-10865194-B2 Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-12-15 US disclosed
US-20190135778-A1 THERAPEUTICALLY ACTIVE BICYCLIC-SULPHONAMIDES AND PHARMACEUTICAL COMPOSITIONS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-05-09 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1664031-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005021536-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI-AVENTIS (FR) 2005-03-10 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 (4 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-20190135778-A1 THERAPEUTICALLY ACTIVE BICYCLIC-SULPHONAMIDES AND PHARMACEUTICAL COMPOSITIONS NAAA, FAAH, FAAH2 FUCA1 458/4885SIGMAR1 893/4885ACHE 21/4885
US-10865194-B2 Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions NAAA, FAAH2, FAAH FUCA1 397/4885SIGMAR1 308/4885ACHE 34/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS FUCA1 4054/4885SIGMAR1 4769/4885ACHE 4807/4885
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 FUCA1 1335/4885SIGMAR1 291/4885ACHE 139/4885

“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.