SCHEMBL4681571

SCHEMBL4681571

C[C](C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
CA12 O43570 1/20 0.64
CA9 Q16790 1/20 0.64
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GSK3B P49841 1/20 0.51
NPC1 O15118 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
ELANE P08246 1/20 0.50

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
SCHEMBL20876339 0.87 ALDH1A1 (0.71) ALDH1A1CA12CA9MAPTKDM4E
SCHEMBL29448333 0.85 ALDH1A1 (0.69) ALDH1A1CA12CA9MAPTKDM4E
SCHEMBL624540 0.85 ALDH1A1 (0.69) ALDH1A1CA12CA9MAPTKDM4E
SCHEMBL1274905 0.83 ALDH1A1 (1.00) ALDH1A1CA12CA9MAPTKDM4E
SCHEMBL24370220 0.82 ALDH1A1 (0.65) ALDH1A1CA12CA9MAPTKDM4E
Ethylene SCHEMBL9096059 0.82 ALDH1A1 (0.70) ALDH1A1CA12CA9MAPTKDM4E
SCHEMBL14553331 0.82 ALDH1A1 (0.65) ALDH1A1CA12CA9MAPTKDM4E
SCHEMBL15541426 0.80 ALDH1A1 (0.62) ALDH1A1CA12CA9MAPTKDM4E
SCHEMBL8940040 0.80 CA12 (0.73) ALDH1A1CA12CA9MAPTKDM4E
SCHEMBL20876370 0.79 ALDH1A1 (0.61) ALDH1A1CA12CA9MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185512-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2018-07-05 US disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
CN-1084330-C Cydic amide derivatives OTSUKA PHARMA CO LTD (JP) 2002-05-08 CN disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
CN-1066653-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1992-12-02 CN disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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 (1 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-20180185512-A1 NANOPARTICLES FOR DRUG DELIVERY NCL, NPC1, SNX9 ALDH1A1 1563/4885CA12 640/4885CA9 724/4885

“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.