SCHEMBL1365489

SCHEMBL1365489

Cc1cccc(C2=CC[N]CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
NISCH Q9Y2I1 2/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NPY5R Q15761 1/20 0.37
ACHE P22303 2/20 0.37
IDO1 P14902 1/20 0.37
METAP2 P50579 1/20 0.37
HTR7 P34969 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GALR1 P47211 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL3116016 0.81 CHRNB4 (0.47) CHRNB4CHRNA3NISCHIDO1HTR7
SCHEMBL3121636 0.79 HTR2C (0.53) CHRNB4CHRNA3RAB9ANPC1SMN1; SMN2
SCHEMBL5584387 0.79 CHRNB4 (0.46) CHRNB4CHRNA3RAB9ANPC1SMN1; SMN2
SCHEMBL240095 0.79 SIGMAR1 (0.42) CHRNB4CHRNA3NISCHRAB9ANPC1
SCHEMBL3540753 0.79 NISCH (0.47) NISCHRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1364149 0.79 NISCH (0.47) CHRNB4CHRNA3NISCHRAB9ANPC1
SCHEMBL3458441 0.79 ATM (0.40) SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL28039620 0.77 ACHE (0.46) CHRNB4CHRNA3NISCHRAB9ANPC1
SCHEMBL3539216 0.76 NOTUM (0.40) RAB9ANPC1
SCHEMBL3537231 0.75 WDR5 (0.44) RAB9ANPC1SMN1; SMN2MEN1ALDH1A1

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-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE HOLDINGS CORPORATION (US) 2019-03-12 US disclosed
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2018-06-07 US disclosed
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 US disclosed
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP disclosed
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP disclosed
US-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US disclosed
EP-2617419-A1 Aza spiro alkane derivatives as inhibitors of metallproteases Incyte Corporation (US) 2013-07-24 EP disclosed
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION 2011-11-24 US disclosed
US-8039471-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2009-05-14 US disclosed
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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 (7 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CHRNB4 302/4885CHRNA3 152/4885NISCH 3392/4885
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885NISCH 1527/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885NISCH 1527/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885NISCH 1527/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885NISCH 1527/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CHRNB4 302/4885CHRNA3 152/4885NISCH 3392/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885NISCH 1527/4885

“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.