SCHEMBL7044778

SCHEMBL7044778

COC(=O)[C@H]1Cc2c(cccc2OC)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
MTNR1A P48039 8/20 0.48
MTNR1B P49286 6/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACHE P22303 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5568815 1.00 DRD2 (0.51) DRD2DRD3MTNR1AMTNR1BKDM4E
SCHEMBL4838972 1.00 DRD2 (0.51) DRD2DRD3MTNR1AMTNR1BKDM4E
SCHEMBL7660514 0.87 DRD2 (0.52) DRD2DRD3MTNR1AMTNR1BKDM4E
SCHEMBL926564 0.87 DRD2 (0.52) DRD2DRD3MTNR1AMTNR1BKDM4E
SCHEMBL7037275 0.86 DRD2 (0.45) DRD2DRD3MTNR1AKDM4ECYP1A2
1,2-Dimethoxybenzene SCHEMBL27572044 0.84 GAA (0.53) DRD2DRD3MTNR1AMTNR1BKDM4E
SCHEMBL5565447 0.84 KDM4E (0.44) DRD2DRD3KDM4ECYP1A2MAPT
SCHEMBL12596308 0.83 DRD2 (0.48) DRD2DRD3MTNR1AKDM4ECYP1A2
SCHEMBL5568857 0.82 PDE5A (0.43) KDM4ECYP1A2MAPTCYP2C9ALOX15
SCHEMBL5568366 0.82 KDM4E (0.42) DRD2DRD3KDM4ECYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 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 (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-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 DRD2 4037/4885DRD3 3578/4885MTNR1A 729/4885

“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.