SCHEMBL246048

SCHEMBL246048

COc1ccccc1N1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TP53 P04637 1/20 0.57
AKR1C3 P42330 1/20 0.56
DRD2 P14416 2/20 0.55
PKM P14618 1/20 0.54
HPGDS O60760 1/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
EED O75530 1/20 0.54
CKS1B P61024 1/20 0.54
SKP1 P63208 1/20 0.54
SKP2 Q13309 1/20 0.54
CYP1A2 P05177 1/20 0.52

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
SCHEMBL246627 0.95 TSHR (0.63) TSHRMEN1POLBKMT2ALMNA
SCHEMBL3404794 0.86 L3MBTL1 (0.59) TSHRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL247537 0.86 CKS1B (0.51) DRD2CKS1BSKP1SKP2
SCHEMBL17276765 0.85 CKS1B (0.55) MEN1POLBKMT2ALMNASMN1; SMN2
SCHEMBL30185679 0.84 CKS1B (0.56) TSHRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5235579 0.84 MEN1 (0.59) MEN1POLBKMT2ALMNASMN1; SMN2
SCHEMBL5235727 0.84 CKS1B (0.56) TSHRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1062063 0.84 GALR2 (0.51) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7986047 0.83 CKS1B (0.57) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4287452 0.83 NR1H2 (0.48) MEN1KMT2ALMNATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 US disclosed
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 US disclosed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 WO disclosed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 WO disclosed
WO-2011072174-A1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS, INC. (US) 2011-06-16 WO disclosed
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
EP-1228064-A1 N-ARYL-(HOMOPIPERAZINYL)-CYCLOHEXYL AMINES AS 5-HT TRANSPORTERS Wyeth (US) 2002-08-07 EP disclosed
US-6337326-B1 CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION 2002-01-08 US disclosed
WO-2001034597-A1 N-ARYL-(HOMOPIPERAZINYL)-CYCLOHEXYL AMINES AS 5-HT TRANSPORTERS WYETH (US) 2001-05-17 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 (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-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 TSHR 72/4885MEN1 3642/4885POLB 4404/4885
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 TSHR 4602/4885MEN1 2307/4885POLB 356/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 TSHR 4602/4885MEN1 2307/4885POLB 356/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 TSHR 221/4885MEN1 975/4885POLB 3142/4885

“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.