SCHEMBL772530

SCHEMBL772530

[CH2]CC1CCN(CC)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
EPHX1 P07099 2/20 0.38
EPHX2 P34913 1/20 0.36
HSD11B1 P28845 2/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9996713 0.86
SCHEMBL3955899 0.81 SMN1; SMN2 (0.45) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL771690 0.81 DRD2 (0.44) EPHX1EPHX2
SCHEMBL22793920 0.79 SMN1; SMN2 (0.46) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL178287 0.79 SMN1; SMN2 (0.46) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL31273888 0.79 HRH3 (0.49) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL8988954 0.78 HRH3 (0.41) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL22520700 0.75 ACHE (0.50) SMN1; SMN2HRH3HSD11B1KDM4E
SCHEMBL102378 0.75 NCF1 (0.58) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL21532979 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061990-A Abiraterone derivative, and preparation method therefor and medical applications thereof 四川海思科制药有限公司 2016-10-26 CN disclosed
US-8895565-B2 Heterocyclic compound and use of the same NISHIO TETSUYA (JP) 2014-11-25 US disclosed
WO-2014179496-A1 SERINE/THREONINE KINASE INHIBITORS AFRAXIS HOLDINGS, INC. (US) 2014-11-06 WO disclosed
WO-2014179498-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-11-06 WO disclosed
US-20140323477-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-10-30 US disclosed
US-20140323478-A1 SERINE/THREONINE KINASE INHIBITORS AFRAXIS HOLDINGS, INC. (US) 2014-10-30 US disclosed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME NISHIO TETSUYA (JP) 2011-12-29 US disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
EP-0420806-B1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
EP-0420806-A1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4440781-A TRANQUILIZERS; ANTICONVULSANTS; ANTIDEPRESSANTS; ALCOHOL AND TOBACCO WITHDRAWAL THE VINOXEN COMPANY, INC. (US) 1984-04-03 US disclosed
US-4424202-A Azelaaldehydates as psychotropic agents THE VINOXEN COMPANY, INC. (US) 1984-01-03 US 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 (5 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-20140323478-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, PAK2, AKT1 SMN1; SMN2 1834/4885HRH3 2420/4885EPHX1 2538/4885
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME CYP2D6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 4130/4885HRH3 92/4885EPHX1 1730/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR SMN1; SMN2 4479/4885HRH3 739/4885EPHX1 3354/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885HRH3 4130/4885EPHX1 3653/4885
US-20140323477-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, PAK2, AKT1 SMN1; SMN2 1711/4885HRH3 2388/4885EPHX1 2465/4885

“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.