SCHEMBL2464083

SCHEMBL2464083

COC(=O)C1(N)CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
TACR3 P29371 1/20 0.44
HDAC9 Q9UKV0 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.41
GRM1 Q13255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 3/20 0.41
PIN1 Q13526 3/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL9431163 1.00 TACR1 (0.44) TACR1TACR3HDAC9KDM4EMAPT
SCHEMBL9433786 0.91 KDM1A (0.49) TACR1TACR3HDAC9MAPTALDH1A1
SCHEMBL17604704 0.90 OPRM1 (0.41) TACR1TACR3HDAC9CYP2C19
SCHEMBL17604702 0.90 OPRM1 (0.41) TACR1TACR3HDAC9CYP2C19
SCHEMBL30596332 0.83 OPRM1 (0.45)
SCHEMBL1455575 0.83 OPRM1 (0.45)
SCHEMBL7448215 0.81 KDM4E (0.44) HDAC9KDM4EMAPTPOLBCYP2C19
SCHEMBL2468652 0.81 KDM4E (0.44) HDAC9KDM4EMAPTPOLBCYP2C19
SCHEMBL197942 0.80 KDM4E (0.61) HDAC9KDM4EMAPTPOLBCYP2C19
SCHEMBL197940 0.80 KDM4E (0.61) HDAC9KDM4EMAPTPOLBCYP2C19

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
JP-4782252-B2 2011-09-28 JP claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO disclosed
US-4610817-A N-acyl derivatives of peptides, their preparation and their use in the treatment of disorders, and agents for this purpose BASF AKTIENGESELLSCHAFT (DE) 1986-09-09 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 (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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 TACR1 1106/4885TACR3 2894/4885HDAC9 3/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A TACR1 1093/4885TACR3 2719/4885HDAC9 4/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 TACR1 1106/4885TACR3 2894/4885HDAC9 3/4885

“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.