SCHEMBL2960396

SCHEMBL2960396

CCCN(CCC)C(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
CA1 P00915 2/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL11980194 0.92 BCHE (0.44) BCHEALDH1A1PKML3MBTL1CA12
SCHEMBL20928014 0.92 BCHE (0.44) BCHEALDH1A1PKML3MBTL1CA12
SCHEMBL19380754 0.91 BCHE (0.54) BCHEALDH1A1PKML3MBTL1CA12
SCHEMBL2953586 0.91 ALDH1A1 (0.44) BCHEALDH1A1PKML3MBTL1CA12
SCHEMBL13676231 0.89 BCHE (0.53) BCHEALDH1A1PKML3MBTL1CA12
SCHEMBL623223 0.89 ALDH1A1 (0.42) BCHEALDH1A1PKML3MBTL1CA12
SCHEMBL2959000 0.88 BCHE (0.56) BCHEALDH1A1PKML3MBTL1CA12
SCHEMBL15254338 0.86 L3MBTL1 (0.50) BCHEALDH1A1L3MBTL1CA12CA9
SCHEMBL15254560 0.86 L3MBTL1 (0.50) BCHEALDH1A1L3MBTL1CA12CA9
SCHEMBL15254340 0.86 L3MBTL1 (0.50) BCHEALDH1A1L3MBTL1CA12CA9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019079649-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2019-04-25 WO disclosed
EP-2300013-B1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2017-09-06 EP disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
US-8476445-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2013-07-02 US disclosed
US-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 US disclosed
US-7678915-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2010-03-16 US disclosed
US-20070276017-A1 Thiadiazoline Derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070276017-A1 Thiadiazoline Derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070010677-A1 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2007-01-11 US disclosed
US-20050209279-A1 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2005-09-22 US disclosed
US-6919458-B2 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2005-07-19 US disclosed
EP-0868182-B1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RES INC (US) 2003-09-03 EP disclosed
US-20030028029-A1 Process for production of piperidine derivatives BARCLAYS BANK PLC, AS THE COLLATERAL AGENT 2003-02-06 US disclosed
US-6458958-B1 PROCESS OF PREPARING A PIPERIDINE DERIVATIVE COMPOUND OF THE FORMULA: ACYLATING AN .ALPHA.,.ALPHA.-DISUBSTITUTED-METHYLBENZENE DERIVATIVE HAVING THE FORMULA: ALBANY MOLECULAR RESEARCH, INC. 2002-10-01 US disclosed
US-6444824-B1 ANTISEROTONINE AGENTS; SIDE EFFECT REDUCTION ALBANY MOLECULAR RESEARCH, INC. 2002-09-03 US disclosed
US-6153754-A Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2000-11-28 US disclosed
EP-0868182-A4 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RES INC (US) 1999-04-07 EP disclosed
EP-0868182-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 1998-10-07 EP disclosed
WO-1997023213-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 1997-07-03 WO disclosed
WO-1997009983-A1 PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1997-03-20 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 (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-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES HPD, PTMA, HAAO BCHE 691/4885ALDH1A1 20/4885PKM 375/4885
US-20070276017-A1 Thiadiazoline Derivative BRD7, NR3C2, NR5A2 BCHE 3249/4885ALDH1A1 1571/4885PKM 4005/4885
US-20050209279-A1 Process for production of piperidine derivatives NR5A2, NR4A1, NR4A2 BCHE 2822/4885ALDH1A1 1917/4885PKM 4793/4885
US-20070010677-A1 Process for production of piperidine derivatives NR4A1, NR5A2, NR4A2 BCHE 2900/4885ALDH1A1 1155/4885PKM 4530/4885
US-20030028029-A1 Process for production of piperidine derivatives NR4A1, RCOR1, CBR1 BCHE 2161/4885ALDH1A1 1129/4885PKM 4267/4885

“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.