SCHEMBL215813

SCHEMBL215813

[c]1ccc(N2CCCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.53
HTR3E A5X5Y0 3/20 0.53
HTR3B O95264 3/20 0.53
HTR3A P46098 3/20 0.53
HTR3D Q70Z44 3/20 0.53
HTR3C Q8WXA8 3/20 0.53
SIGMAR1 Q99720 3/20 0.53
CHRNB2 P17787 9/20 0.51
CHRNA4 P43681 9/20 0.51
ADRB2 P07550 1/20 0.50
NCF1 P14598 1/20 0.50
PLD1 Q13393 1/20 0.50
CHRNA1 P02708 1/20 0.46
CHRNA7 P36544 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43

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
SCHEMBL182813 0.92 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL11430793 0.90 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL114702 0.81 CHKA (0.46) NCF1KDM4EALDH1A1LMNA
SCHEMBL41297 0.81 CHKA (0.52) KDM4EALDH1A1LMNA
SCHEMBL4613193 0.81 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3066756 0.80 ADRB1 (0.83) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4719117 0.80 ADRB1 (0.47) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1900341 0.79 ALDH1A1 (0.52) KDM4EALDH1A1LMNA
SCHEMBL146936 0.79 ALDH1A1 (0.52) KDM4EALDH1A1LMNA
SCHEMBL17276864 0.79 ADRB1 (0.68) ADRB1HTR3EHTR3BHTR3AHTR3D

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO claimed
US-7700630-B2 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US claimed
US-7244745-B2 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORP. (US) 2007-07-17 US claimed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
US-20100173891-A1 HETEROCYCLIC COMPOUNDS, METHODS FOR THE PREPARATION THEREOF, AND USES THEREOF HERBERT BRIAN 2010-07-08 US disclosed
US-7700630-B2 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US disclosed
US-20090105215-A1 3-Quinolin-2-ylmethylene-3,4,5,6-terahydro[2,3']bipyridinyl; for therapy and prophylaxis of psychotic diseases, neurodegenerative diseases involving a dysfunction of the cholinergic system HERBERT BRIAN 2009-04-23 US disclosed
US-7244745-B2 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORP. (US) 2007-07-17 US disclosed
EP-1531820-A1 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Memory Pharmaceuticals Corporation (US) 2005-05-25 EP disclosed
US-20040229868-A1 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORP. 2004-11-18 US disclosed
WO-2004019943-A1 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES MEMORY PHARMACEUTICALS CORPORATION (US) 2004-03-11 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-20040229868-A1 Heterocyclic compounds, methods for the preparation thereof, and uses thereof CHRNA1, CHRNA4, CHRNA3 ADRB1 44/4885HTR3E 279/4885HTR3B 128/4885
US-20090105215-A1 3-Quinolin-2-ylmethylene-3,4,5,6-terahydro[2,3']bipyridinyl; for therapy and prophylaxis of psychotic diseases, neurodegenerative diseases involving a dysfunction of the cholinergic system CHRNA3, CHRNA2, CHRNA5 ADRB1 76/4885HTR3E 180/4885HTR3B 89/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 ADRB1 46/4885HTR3E 993/4885HTR3B 239/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN ADRB1 2885/4885HTR3E 1821/4885HTR3B 1989/4885
US-20100173891-A1 HETEROCYCLIC COMPOUNDS, METHODS FOR THE PREPARATION THEREOF, AND USES THEREOF CHRM3, CHRNA1, CHRNA5 ADRB1 84/4885HTR3E 366/4885HTR3B 173/4885

“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.