SCHEMBL70021

SCHEMBL70021

N#Cc1ccc(CN2CCC(N)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
KDM1A O60341 2/20 0.55
HRH2 P25021 2/20 0.55
HRH1 P35367 2/20 0.55
USP2 O75604 1/20 0.54
PRKAA2 P54646 1/20 0.51
DPP4 P27487 2/20 0.50
DPP8 Q6V1X1 1/20 0.50
OPRM1 P35372 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
THRB P10828 1/20 0.50
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL62646 0.98 HRH3 (0.55) HRH3KDM1AHRH2HRH1USP2
SCHEMBL25013995 0.84 KDM1A (0.51) HRH3KDM1AHRH2HRH1PRKAA2
SCHEMBL20804360 0.84 KCNJ1 (0.66) HRH3USP2KCNJ1KCNH2CYP1A2
SCHEMBL28024576 0.84 KCNJ1 (0.66) HRH3USP2KCNJ1KCNH2CYP1A2
SCHEMBL14375216 0.83 HRH3 (0.67) HRH3HRH2HRH1USP2PRKAA2
SCHEMBL647375 0.83 HRH3 (0.57) HRH3HRH2HRH1USP2PRKAA2
SCHEMBL15033028 0.83 DRD2 (0.48) HRH3KDM1AMAOAMAOB
SCHEMBL12533594 0.81 DRD4 (0.53) HRH3KDM1A
SCHEMBL18419740 0.81 HRH3 (0.53) HRH3USP2PRKAA2OPRM1MAOA
SCHEMBL7439323 0.81 USP2 (0.55) HRH3USP2PRKAA2OPRM1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005011675-A1 DERIVATIVES OF 3-HYDROXY-PYRROLE-2,4-DICARBOXYLIC ACID AND USES THEREOF AVALON PHARMACEUTICALS (US) 2005-02-10 WO claimed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
CN-107567445-B 2-phenyl-3H-imidazo [4,5-B ] pyridine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity 坎塞拉有限公司 2021-06-29 CN disclosed
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
CN-112079769-A Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-12-15 CN disclosed
CN-106928211-B Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-09-08 CN disclosed
EP-2598483-B1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS INC (US) 2020-07-29 EP disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-20100190802-A1 CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS INC. (US) 2010-07-29 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
EP-1436269-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003033482-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP 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 (8 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 HRH3 46/4885KDM1A 1316/4885HRH2 1078/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 HRH3 4418/4885KDM1A 1452/4885HRH2 4345/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HRH3 2573/4885KDM1A 282/4885HRH2 2641/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 HRH3 4418/4885KDM1A 1452/4885HRH2 4345/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 HRH3 4418/4885KDM1A 1452/4885HRH2 4345/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 HRH3 2547/4885KDM1A 410/4885HRH2 2532/4885
US-20100190802-A1 CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME PC, AK2, PRKAA1 HRH3 2232/4885KDM1A 421/4885HRH2 2621/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 HRH3 46/4885KDM1A 1316/4885HRH2 1078/4885

“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.