SCHEMBL5724904

SCHEMBL5724904

BrCCC1CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
BCHE P06276 1/20 0.49
IDO1 P14902 2/20 0.43
PDPK1 O15530 1/20 0.43
CYP19A1 P11511 1/20 0.42
TBXAS1 P24557 1/20 0.42

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
SCHEMBL19358515 0.89 BCHE (0.50) HTR6MTNR1AMTNR1BBCHE
SCHEMBL10551218 0.89 CYP19A1 (0.54) IDO1CYP19A1TBXAS1
SCHEMBL9014682 0.87 SIGMAR1 (0.49) BCHECYP19A1TBXAS1
SCHEMBL3104608 0.84 HTR6 (0.54) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL1567620 0.81 MTNR1A (0.54) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL7379841 0.81 HTR6 (0.56) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL7167235 0.81 HTR6 (0.51) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL6248217 0.81 HTR6 (0.51) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL1567623 0.81 MTNR1A (0.54) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL29547256 0.81 BCHE (0.56) HTR6MTNR1AMTNR1BBCHEPDPK1

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 17 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
CN-1241176-A Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER (US) 2000-01-12 CN 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
EP-0213080-B1 HYDROGENATED PYRIDINE DERIVATIVES CIBA-GEIGY AG (CH) 1992-05-20 EP disclosed
US-4939160-A Nootropic agents CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
US-4833169-A MEMORY ACTIVATORS CIBA-GEIGY CORPORATION (US) 1989-05-23 US disclosed
EP-0213080-A2 Hydrogenated pyridine derivatives CIBA-GEIGY AG (CH) 1987-03-04 EP 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 HTR6 2679/4885MTNR1A 113/4885MTNR1B 112/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 HTR6 2679/4885MTNR1A 113/4885MTNR1B 112/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 HTR6 2679/4885MTNR1A 113/4885MTNR1B 112/4885

“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.