SCHEMBL951869

SCHEMBL951869

CC(N)Cc1cccc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.62
TAAR1 Q96RJ0 4/20 0.61
MAOA P21397 3/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
CYP2A6 P11509 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
MAOB P27338 2/20 0.52
CYP19A1 P11511 1/20 0.50
ADRB2 P07550 3/20 0.48

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
SCHEMBL11056699 1.00 PNMT (0.62) PNMTTAAR1MAOASLC6A2SLC6A4
SCHEMBL11059954 1.00 PNMT (0.62) PNMTTAAR1MAOASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11675476 0.98 PNMT (0.60) PNMTTAAR1MAOASLC6A2SLC6A4
Sulfuric Acid SCHEMBL11053544 0.89 PNMT (0.56) PNMTTAAR1MAOASLC6A2SLC6A4
SCHEMBL153431 0.87 MAOA (0.52) PNMTTAAR1MAOASLC6A2SLC6A4
SCHEMBL29403479 0.87 MAOA (0.52) PNMTTAAR1MAOASLC6A2SLC6A4
SCHEMBL24152546 0.86 TAAR1 (0.73) PNMTTAAR1MAOASLC6A2SLC6A4
SCHEMBL13387614 0.86 TAAR1 (0.73) PNMTTAAR1MAOASLC6A2SLC6A4
Maleic Acid SCHEMBL11675427 0.85 TAAR1 (0.50) PNMTTAAR1MAOASLC6A2SLC6A4
SCHEMBL8281166 0.83 ADRB2 (0.52) PNMTTAAR1MAOASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4477470-A ANTIEDEMIC AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1984-10-16 US claimed
CN-106573956-A Auristatin derivatives and conjugates thereof 诺华股份有限公司 2017-04-19 CN disclosed
CN-104703965-A Alpha hydroxy amides MERCK PATENT GMBH 2015-06-10 CN disclosed
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
EP-1511721-B1 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2009-07-01 EP disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
WO-2005099703-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM SANOFI-AVENTIS (FR) 2005-10-27 WO disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 WO disclosed
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP disclosed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO disclosed
US-4477470-A ANTIEDEMIC AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1984-10-16 US disclosed
US-4477470-A ANTIEDEMIC AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1984-10-16 US disclosed
US-4477470-A ANTIEDEMIC AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1984-10-16 US disclosed
US-4015011-A HYPERTENSIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-03-29 US 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 PNMT 1932/4885TAAR1 4627/4885MAOA 1543/4885
US-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT PNMT 2264/4885TAAR1 2835/4885MAOA 2747/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 PNMT 1932/4885TAAR1 4627/4885MAOA 1543/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 PNMT 3524/4885TAAR1 2306/4885MAOA 3275/4885

“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.