SCHEMBL5725633

SCHEMBL5725633

CC(C)(C)OC(=O)c1ccc(CCCNCCCc2cccc(Br)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
FDFT1 P37268 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 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
SCHEMBL5043004 0.88 KDM4E (0.41) TAAR1KDM4EHPGDNPC1RAB9A
SCHEMBL5724889 0.84 TAAR1 (0.35) TAAR1CTSBCTSSCTSKMMP1
SCHEMBL5043586 0.79 ALDH1A1 (0.39) CYP1A2CYP2D6CYP2C19KDM4EHPGD
SCHEMBL5043162 0.76 MRGPRX4 (0.48) TAAR1KDM4EMTNR1AMTNR1BHPGD
SCHEMBL5725201 0.75 MRGPRX4 (0.37) CYP1A2CYP2D6CYP2C19KDM4EMTNR1A
SCHEMBL612634 0.75 CTSB (0.52) TAAR1CTSBCTSSCTSKSIGMAR1
SCHEMBL8564545 0.74 HPGD (0.45) HPGDL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL8570240 0.73 HPGD (0.43) HPGDL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL5726025 0.73 HTR1A (0.48) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL8982537 0.72 HPGD (0.40) HPGDL3MBTL1HDAC3HDAC4HDAC1

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 TAAR1 1956/4885CTSB 929/4885CTSS 2129/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 TAAR1 1956/4885CTSB 929/4885CTSS 2129/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 TAAR1 1956/4885CTSB 929/4885CTSS 2129/4885

“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.