SCHEMBL1028407

SCHEMBL1028407

O=C(O)N1CCC2CC=CC=C2C1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ATM Q13315 1/20 0.32
HTR2B P41595 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
RBP4 P02753 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
Succinic Acid SCHEMBL2849113 0.93 USP5 (0.33) ALDH1A1POLBRBP4
SCHEMBL28166840 0.86 PDE4B (0.32) CA12CA1CA2CA7CA9
SCHEMBL1898647 0.86
SCHEMBL10922111 0.86 QDPR (0.40) ALDH1A1POLBKCNH2
SCHEMBL28056726 0.83 NPC1 (0.41) NPC1RAB9AATMHTR2BCA12
SCHEMBL7375779 0.80 GAA (0.53) HTR2B
SCHEMBL28056784 0.79 PARP10 (0.46) NPC1RAB9AATMCA12CA1
Acetic Acid SCHEMBL1666951 0.77 CHRNB2 (0.30)
SCHEMBL28056859 0.73 FDFT1 (0.47) NPC1RAB9ACA12CA1CA2
SCHEMBL28056837 0.73 ABL1 (0.40) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274328-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-01-19 EP claimed
WO-2009137850-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 WO claimed
US-20030216324-A1 Airway mucus secretion inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US claimed
US-20030212115-A1 Remedies for inflammatory bowel diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2003-11-13 US claimed
US-20030171539-A1 Anti-heparin peptides DIAGNOSTICA-STAGO (FR) 2003-09-11 US claimed
US-6608175-B2 Oxadiazole, thiadiazoles or triazole metal derivatives reacted with an amine containing aldehyde, deprotecting, coupling with an acid and oxidizing to create substituted oxadiazole, thiadiazole or triazole peptoids CORTECH, INC. 2003-08-19 US claimed
EP-1323420-A1 REMEDIES FOR INFLAMMATORY BOWEL DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2003-07-02 EP claimed
EP-1323419-A1 AIRWAY MUCUS SECRETION INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2003-07-02 EP claimed
EP-1147097-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-10-24 EP claimed
EP-1105412-A1 SERINE PROTEASE INHIBITORS COMPRISING ALPHA-KETO HETEROCYCLES CORTECH, INC. (US) 2001-06-13 EP claimed
WO-1998049190-A9 SUBSTITUTED OXADIAZOLE CYSTEINE PROTEASE INHIBITORS CORTECH INC (US) 1999-04-15 WO claimed
US-5869455-A SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS WHICH ARE USEFUL AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1999-02-09 US claimed
WO-1998049190-A2 SUBSTITUTED OXADIAZOLE CYSTEINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-11-05 WO claimed
US-5753619-A CYCLIC HEPTAPEPTIDES FOR CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INSUSTRIES, LTD. (JP) 1998-05-19 US claimed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP claimed
US-5618792-A USEFUL FOR TREATING ACUTE RESPIRATORY DISEASES, AND MYOCARDIAL ISHCEMIA-REPERFUSION INJURY CORTECH, INC. (US) 1997-04-08 US claimed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP claimed

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-20030212115-A1 Remedies for inflammatory bowel diseases NOS3, TPMT, NOS2 NPC1 3419/4885RAB9A 3973/4885ATM 2585/4885
US-20030171539-A1 Anti-heparin peptides SERPINC1, F13B, ZYX NPC1 3966/4885RAB9A 2503/4885ATM 4054/4885
US-20030216324-A1 Airway mucus secretion inhibitors MUC1, CFTR, SERPINB1 NPC1 1871/4885RAB9A 2939/4885ATM 1083/4885

“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.