SCHEMBL14940892

SCHEMBL14940892

O=[C]CN1CCCC(CO)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.39
LTA4H P09960 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
BCHE P06276 2/20 0.36
PNP P00491 1/20 0.36
MAOB P27338 3/20 0.35
TYMP P19971 2/20 0.35
GRM3 Q14832 3/20 0.34
EPHX2 P34913 1/20 0.34
MAP4K4 O95819 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
SCHEMBL3897140 0.81 CYP2D6 (0.44) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL5552573 0.81 MAOB (0.51) CYP2D6MAPTHTTBCHEMAOB
SCHEMBL25147628 0.78 CYP2D6 (0.50) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL14940955 0.77 ALDH1A1 (0.50) HTT
SCHEMBL14940733 0.76 MAOB (0.33) LTA4HBCHEMAOBTYMP
SCHEMBL3431958 0.76 CYP2D6 (0.45) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL2934405 0.75 CYP2D6 (0.47) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL772309 0.75 CYP2D6 (0.47) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL3431959 0.75 CYP2D6 (0.47) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL645562 0.75 CYP2D6 (0.47) CYP2D6MAPTHTTLTA4HCYP3A4

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
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP claimed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 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 (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-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 CYP2D6 3408/4885MAPT 2813/4885HTT 3415/4885

“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.