SCHEMBL5725933

SCHEMBL5725933

CC(C)(C)OC(=O)Cc1ccccc1CCN

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.45
MTNR1B P49286 5/20 0.45
TAAR1 Q96RJ0 7/20 0.42
HTR2A P28223 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HMGB1 P09429 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL9863289 0.88 MTNR1A (0.52) MTNR1AMTNR1BL3MBTL1RORC
SCHEMBL22532318 0.87 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1RORC
Hydrochloric Acid SCHEMBL22531766 0.85 MTNR1A (0.46) MTNR1AMTNR1BL3MBTL1RORC
Hydrochloric Acid SCHEMBL29549188 0.85 MTNR1A (0.46) MTNR1AMTNR1BL3MBTL1RORC
SCHEMBL12546275 0.84 MTNR1A (0.44) MTNR1AMTNR1BHTR2ARORC
SCHEMBL22532126 0.81 MTNR1A (0.46) MTNR1AMTNR1BL3MBTL1
SCHEMBL16940009 0.80 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1RORC
SCHEMBL4671563 0.80 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1RORC
SCHEMBL19994734 0.80 MTNR1A (0.51) MTNR1AMTNR1BTAAR1L3MBTL1RORC
SCHEMBL5271185 0.80 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946501-B1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER (US) 2006-05-31 EP disclosed
US-6998423-B2 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. (US) 2006-02-14 US disclosed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US disclosed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 US disclosed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 US disclosed
US-6492412-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF SULFONAMIDE OR ALKANOY OR AMIDE DERIVATIVE CONTAINING HETERO OR AROMATIC RINGS TO TREAT OSTEOPOROSIS, OSTEOTOMY, CHILDHOOD IDIOPATHIC BOEN LOSS ETC. PFIZER, INC. 2002-12-10 US disclosed
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLY O (US) 2002-02-07 US disclosed
US-6344485-B1 Method for treating glaucoma PFIZER INC. 2002-02-05 US disclosed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 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 (3 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MTNR1A 113/4885MTNR1B 112/4885TAAR1 1956/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MTNR1A 113/4885MTNR1B 112/4885TAAR1 1956/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MTNR1A 113/4885MTNR1B 112/4885TAAR1 1956/4885

“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.