SCHEMBL5046326

SCHEMBL5046326

COC(=O)c1ccc(CCCN)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
ALDH1A1 P00352 5/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
RAB9A P51151 4/20 0.52
TSHR P16473 3/20 0.52
NPC1 O15118 3/20 0.52
HSP90AA1 P07900 1/20 0.52
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48

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 SCHEMBL5046324 0.98 HTT (0.63) HTTALDH1A1NPSR1MAPTLMNA
SCHEMBL19736942 0.85 HTT (0.67) HTTALDH1A1NPSR1MAPTLMNA
SCHEMBL11485462 0.84 HTT (0.65) HTTALDH1A1NPSR1MAPTLMNA
SCHEMBL6619997 0.84 HTT (0.65) HTTALDH1A1NPSR1MAPTLMNA
SCHEMBL4444107 0.83 HTT (0.73) HTTALDH1A1NPSR1MAPTLMNA
SCHEMBL26227594 0.81 HTT (0.71) HTTALDH1A1NPSR1MAPTLMNA
SCHEMBL11974036 0.81 HTT (0.71) HTTALDH1A1NPSR1MAPTLMNA
Hydrochloric Acid SCHEMBL4444103 0.81 HTT (0.71) HTTALDH1A1NPSR1MAPTLMNA
SCHEMBL11473466 0.81 HTT (0.61) HTTALDH1A1NPSR1MAPTLMNA
SCHEMBL24669878 0.81 ALDH1A1 (0.47) HTTALDH1A1MAPTRAB9ATSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
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-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 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-20030078261-A1 Prostaglandin agonists CAMERON KIMBERLY O (US) 2003-04-24 US disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
US-20020165255-A1 Osteoporosis compounds CAMERON KIMBERLY O (US) 2002-11-07 US disclosed
US-6376502-B1 PROSTAGLANDIN AGONISTS ARE USEFUL FOR THE TREATMENT OF BONE DISORDERS INCLUDING OSTEOPOROSIS. PFIZER INC. 2002-04-23 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
US-6124314-A A PROSTAGLANDIN AGONISTS FOR TREATING VERTEBRATE BONE DISORDERS PFIZER INC. (US) 2000-09-26 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
EP-0911321-A2 Compounds for the treatment of osteoporosis PFIZER INC. (US) 1999-04-28 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 (6 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 HTT 4781/4885ALDH1A1 2216/4885NPSR1 704/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 HTT 4781/4885ALDH1A1 2216/4885NPSR1 704/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 HTT 4781/4885ALDH1A1 2216/4885NPSR1 704/4885
US-20020165255-A1 Osteoporosis compounds PTGER1, PTGIR, PTGER4 HTT 4521/4885ALDH1A1 2288/4885NPSR1 415/4885
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR HTT 2486/4885ALDH1A1 3293/4885NPSR1 732/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR HTT 4421/4885ALDH1A1 1987/4885NPSR1 372/4885

“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.