SCHEMBL2953579

SCHEMBL2953579

O=C(NC1CC1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL8393830 0.92 HTT (0.63) HTTALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL8395012 0.92 HTT (0.69) HTTALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL12820039 0.91 HTT (0.49) HTTALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL21161446 0.91 HTT (0.49) HTTALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL15715057 0.91 MAPK1 (0.57) HTTALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL15014622 0.91 MAPK1 (0.57) HTTALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL30423567 0.90 HTT (0.72) HTTALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL8396994 0.90 HTT (0.72) HTTALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL8392442 0.90 HTT (0.72) HTTALDH1A1MAPTKMT2ASMN1; SMN2
Bicarbonate SCHEMBL15226014 0.87 HTT (0.68) HTTALDH1A1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US 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
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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 (4 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 HTT 999/4885ALDH1A1 20/4885MAPT 3355/4885
US-20050209279-A1 Process for production of piperidine derivatives NR5A2, NR4A1, NR4A2 HTT 3976/4885ALDH1A1 1917/4885MAPT 4710/4885
US-20070010677-A1 Process for production of piperidine derivatives NR4A1, NR5A2, NR4A2 HTT 4027/4885ALDH1A1 1155/4885MAPT 4624/4885
US-20030028029-A1 Process for production of piperidine derivatives NR4A1, RCOR1, CBR1 HTT 3427/4885ALDH1A1 1129/4885MAPT 4617/4885

“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.