SCHEMBL15768996

SCHEMBL15768996

CC(C)N1CCCc2oc3cc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)ccc3c2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.53
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 3/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
HAT1 O14929 2/20 0.35
EP300 Q09472 2/20 0.35
KCNH2 Q12809 1/20 0.35

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
Hydrochloric Acid SCHEMBL15769517 0.99 MCHR1 (0.52) MCHR1DRD2DRD4DRD3ALDH1A1
SCHEMBL15769184 0.90 MCHR1 (0.58) MCHR1DRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL15768856 0.89 MCHR1 (0.57) MCHR1DRD2DRD4DRD3ALDH1A1
SCHEMBL15769578 0.88 MCHR1 (0.41) MCHR1DRD2DRD4DRD3FNTA
SCHEMBL15781310 0.88 MCHR1 (0.56) MCHR1DRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL15768904 0.87 MCHR1 (0.41) MCHR1DRD2DRD4DRD3FNTA
SCHEMBL15769226 0.85 MCHR1 (0.51) MCHR1DRD2DRD4DRD3ALDH1A1
SCHEMBL15769270 0.83 MCHR1 (0.70) MCHR1DRD2DRD4DRD3FNTA
Hydrochloric Acid SCHEMBL15769465 0.82 MCHR1 (0.69) MCHR1DRD2DRD4DRD3
SCHEMBL15769546 0.82 MCHR1 (0.48) MCHR1DRD2DRD4DRD3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 US disclosed
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 US disclosed
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 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-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 MCHR1 1/4885DRD2 595/4885DRD4 540/4885

“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.