SCHEMBL4630748

SCHEMBL4630748

CC(=O)C1(Cc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.54
OPRL1 P41146 1/20 0.53
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.50
NPFFR1 Q9GZQ6 1/20 0.50
NPFFR2 Q9Y5X5 1/20 0.50

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
Hydrochloric Acid SCHEMBL6543346 0.98 CYP2D6 (0.59) CYP2D6L3MBTL1ALDH1A1MAPK1OPRL1
SCHEMBL8876545 0.93 SIGMAR1 (0.56) CYP2D6L3MBTL1ALDH1A1MAPK1CHRM2
SCHEMBL4631263 0.88 CYP2D6 (0.56) CYP2D6L3MBTL1ALDH1A1MAPK1OPRL1
SCHEMBL17775632 0.87 P4HB (0.58) CYP2D6L3MBTL1ALDH1A1MAPK1KMT2A
Hydrochloric Acid SCHEMBL20212096 0.86 POLB (0.56) CYP2D6L3MBTL1ALDH1A1MAPK1OPRL1
SCHEMBL14000284 0.84 LMNA (0.48) CYP2D6ALDH1A1MAPK1OPRL1SMN1; SMN2
SCHEMBL18203100 0.84 L3MBTL1 (0.63) CYP2D6L3MBTL1ALDH1A1MAPK1KMT2A
SCHEMBL4629950 0.84 L3MBTL1 (0.53) CYP2D6L3MBTL1ALDH1A1MAPK1OPRL1
Bromide SCHEMBL7749201 0.82 L3MBTL1 (0.52) CYP2D6L3MBTL1ALDH1A1MAPK1OPRL1
SCHEMBL4864670 0.82 L3MBTL1 (0.77) L3MBTL1ALDH1A1MAPK1KMT2ASMN1; 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155343-A1 SPIRO-ISOQUINOLINE-3,4'-PIPERIDINE COMPOUNDS HAVING ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2018-06-07 US disclosed
CN-101230008-A Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2008-07-30 CN disclosed
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP disclosed
CN-1295221-C Substituted heterocyclic compounds SANOFI AVENTIS (FR) 2007-01-17 CN disclosed
CN-1293063-C Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-01-03 CN disclosed
CN-1821241-A Substituted heterocyclic compounds, preparation method therefor and pharmaceutical compositions containing same SANOFI SA (FR) 2006-08-23 CN disclosed
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP disclosed
CN-1636983-A Substituted heterocyclic compounds SANOFI AVENTIS (FR) 2005-07-13 CN disclosed
CN-1202093-C Substituted heterocyclic compounds SANOFI AVENTIS (FR) 2005-05-18 CN disclosed
CN-1179954-C Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ��ŵ�Ѻϳ�ʵ���� 2004-12-15 CN disclosed
EP-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP disclosed
CN-1321634-A Substd heterocyclic compounds preparing method thereof and pharmaceutical composition contg. them SANOFI SYNTHESIZING LAB (FR) 2001-11-14 CN disclosed
CN-1321639-A Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHESIZING LAB (FR) 2001-11-14 CN disclosed
EP-1019373-A1 NOVEL HUMAN NK 3? RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-07-19 EP disclosed
CN-1172483-A Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-02-04 CN disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
WO-1997010211-A1 NOVEL HUMAN NK3 RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1997-03-20 WO disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed
EP-0700386-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 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 (1 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-20180155343-A1 SPIRO-ISOQUINOLINE-3,4'-PIPERIDINE COMPOUNDS HAVING ACTIVITY AGAINST PAIN OPRK1, OPRD1, SIGMAR1 CYP2D6 593/4885L3MBTL1 4833/4885ALDH1A1 608/4885

“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.