SCHEMBL11954374

SCHEMBL11954374

CCC1(C(=O)OC)CCN1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
OPRM1 P35372 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 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
SCHEMBL15567482 0.92 ARG1 (0.39) NPSR1LMNAOPRM1CYP4F2CYP4A11
SCHEMBL5928282 0.92 ARG1 (0.39) NPSR1LMNAOPRM1CYP4F2CYP4A11
SCHEMBL5928185 0.90 NPSR1 (0.40) NPSR1LMNAOPRM1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL2082443 0.90 ARG1 (0.38) NPSR1LMNAOPRM1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL17393020 0.89 NPSR1 (0.39) NPSR1LMNAOPRM1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL31603457 0.82 CYP4F2 (0.36) NPSR1LMNAOPRM1CYP4F2CYP4A11
SCHEMBL31603414 0.80 NPSR1 (0.33) NPSR1LMNAOPRM1CYP4F2CYP4A11
SCHEMBL1688435 0.78
SCHEMBL17393574 0.77 OPRM1 (0.39) OPRM1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5928435 0.77 OPRM1 (0.39) OPRM1CYP2D6SLC6A2SLC6A4SLC6A3

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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC NPSR1 2990/4885LMNA 3072/4885OPRM1 4863/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC NPSR1 2990/4885LMNA 3072/4885OPRM1 4863/4885

“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.