SCHEMBL56706

SCHEMBL56706

c1ccc(N2CCNC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.75
HTR3E A5X5Y0 4/20 0.75
HTR3B O95264 4/20 0.75
HTR3A P46098 4/20 0.75
HTR3D Q70Z44 4/20 0.75
HTR3C Q8WXA8 4/20 0.75
SIGMAR1 Q99720 4/20 0.75
HTR1A P08908 3/20 0.53
HTR7 P34969 3/20 0.53
LTA4H P09960 1/20 0.53
HTR6 P50406 4/20 0.50
USP2 O75604 2/20 0.50
TSHR P16473 2/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR2C P28335 2/20 0.49
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47

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
Water SCHEMBL28163332 0.98 ADRB1 (0.72) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11019815 0.98 ADRB1 (0.72) ADRB1HTR3EHTR3BHTR3AHTR3D
Ammonia Solution, Strong SCHEMBL20512352 0.98 ADRB1 (0.72) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17423648 0.90 ADRB1 (0.68) ADRB1HTR3EHTR3BHTR3AHTR3D
Thiourea SCHEMBL11018060 0.89 ADRB1 (0.60) ADRB1HTR3EHTR3BHTR3AHTR3D
Isothiocyanate SCHEMBL11037708 0.89 ADRB1 (0.60) ADRB1HTR3EHTR3BHTR3AHTR3D
Isothiocyanate SCHEMBL11021338 0.87 ADRB1 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2051022 0.87 HTR3A (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL29135595 0.86 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL55125 0.86 ADRB1 (1.00) 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 1100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157490-A Spiro metallized iridium emitters for OLED applications 香港大学 2023-05-23 CN claimed
CN-111171049-A Tyrosine kinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2020-05-19 CN claimed
CN-111100073-A Benzimidazole derivative containing halogen and preparation method and application thereof 桂林理工大学 2020-05-05 CN claimed
US-10370403-B2 Methods for the synthesis of ceragenins BRIGHAM YOUNG UNIVERSITY (US) 2019-08-06 US claimed
CN-105944581-B A kind of anion responsiveness Pickering lotion and its preparation method and application 辽宁大学 2019-01-01 CN claimed
US-20170283860-A1 METHODS AND COMPOSITIONS FOR THE REMOVAL OF ALDEHYDE ADDUCTS AND CROSSLINKS FROM BIOMOLECULES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-10-05 US claimed
WO-2016044313-A1 METHODS AND COMPOSITIONS FOR THE REMOVAL OF ALDEHYDE ADDUCTS AND CROSSLINKS FROM BIOMOLECULES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-24 WO claimed
EP-2094667-B1 SALTS CONSISTING OF PENTAFLUORPHENYLIMIDE ANIONS AND THEIR USE AS IONIC LIQUIDS PHILIPPS UNIVERSITÄT MARBURG (DE) 2016-01-13 EP claimed
US-8669114-B2 Hydrophobic ionic liquids PHILIPPS-UNIVERSITAET MARBURG (DE) 2014-03-11 US claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US claimed
US-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process BRETON PHILIPPE (FR) 2001-11-29 US claimed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US claimed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP claimed
EP-0580008-B1 Phenylimidazolidine Derivatives, their preparation and use HOECHST AG (DE) 1998-07-08 EP claimed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO claimed
US-5424293-A Anticoagulants of platelet aggregation; osteoclast antagonist for treating osteoporosis CASSELLA AG (DE) 1995-06-13 US claimed
EP-0349243-B1 ANTIVIRAL COMBINATIONS AND COMPOUNDS THEREFOR THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-01 EP claimed
EP-0349243-A2 Antiviral combinations and compounds therefor THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-03 EP claimed
US-4769177-A Electrically conductive and antistatic moulding compositions BAYER AKTIENGESELLSCHAFT (DE) 1988-09-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 ADRB1 2072/4885HTR3E 1235/4885HTR3B 1400/4885
US-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process KRT18, INMT, KMO ADRB1 2157/4885HTR3E 990/4885HTR3B 1381/4885
US-10370403-B2 Methods for the synthesis of ceragenins CALCA, CAPG, MYADM ADRB1 4680/4885HTR3E 4718/4885HTR3B 4719/4885

“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.