SCHEMBL9970753

SCHEMBL9970753

CNc1ccc(CN(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.58
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TAAR1 Q96RJ0 2/20 0.50
LSS P48449 2/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
APP P05067 2/20 0.40
BPTF Q12830 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL8102350 0.82 HRH3 (0.54) HRH3TSHRALDH1A1TAAR1LSS
SCHEMBL659509 0.82 HRH3 (0.82) HRH3TSHRALDH1A1TAAR1NOS3
SCHEMBL2688970 0.79 HRH3 (0.56) HRH3TSHRALDH1A1TAAR1LSS
SCHEMBL13716075 0.79 APP (0.39) HRH3TSHRALDH1A1APP
SCHEMBL4471773 0.77 HRH3 (0.61) HRH3HDAC6
Hydrochloric Acid SCHEMBL1118029 0.77 HRH3 (0.54) HRH3TSHRALDH1A1TAAR1LSS
SCHEMBL13006765 0.77 HRH3 (0.61) HRH3TAAR1BPTF
SCHEMBL15219075 0.77 HRH3 (0.54) HRH3TSHRALDH1A1TAAR1LSS
SCHEMBL291602 0.76 ALDH1A1 (0.52) TSHRALDH1A1APPPOLB
SCHEMBL20389138 0.76 HRH3 (0.58) HRH3TSHRALDH1A1TAAR1LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024036329-A2 CYTOTOXIC COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC. (US) 2024-02-15 WO disclosed
US-20230324398-A1 REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS GMBH (DE) 2023-10-12 US disclosed
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2023-01-05 US disclosed
US-20210347730-A1 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2021-11-11 US disclosed
US-20210292284-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI INTERVET INC. (US) 2021-09-23 US disclosed
WO-2021155288-A1 FIBROBLAST ACTIVATION PROTEIN (FAP) - TARGETED ANTIFIBROTIC THERAPY LOW PHILIP STEWART (US) 2021-08-05 WO disclosed
US-11034650-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2021-06-15 US disclosed
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 US disclosed
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease INTERVET INC. (US) 2020-03-19 US disclosed
US-20190352256-A1 Compounds Useful for Treating a Mannheimia Haemolytica or Histophilus Somni Infection INTERVET INC. (US) 2019-11-21 US disclosed
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
WO-2014059740-A1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES 天津和美生物技术有限公司 (CN) 2014-04-24 WO disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
WO-2013086451-A2 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-13 WO disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (13 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-11034650-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection HEXD, SORD, SDHA HRH3 43/4885TSHR 2469/4885ALDH1A1 951/4885
US-20210347730-A1 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, PPARD HRH3 466/4885TSHR 1330/4885ALDH1A1 845/4885
US-20210292284-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI SORD, HEXD, SDHA HRH3 42/4885TSHR 2059/4885ALDH1A1 2148/4885
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 HRH3 1647/4885TSHR 1941/4885ALDH1A1 2379/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 HRH3 387/4885TSHR 4594/4885ALDH1A1 388/4885
US-20190352256-A1 Compounds Useful for Treating a Mannheimia Haemolytica or Histophilus Somni Infection HEXD, SORD, SDHA HRH3 43/4885TSHR 2469/4885ALDH1A1 951/4885
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 HRH3 1290/4885TSHR 2964/4885ALDH1A1 3172/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 HRH3 4198/4885TSHR 4317/4885ALDH1A1 2622/4885
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 HRH3 3242/4885TSHR 2517/4885ALDH1A1 3004/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 HRH3 23/4885TSHR 20/4885ALDH1A1 2975/4885
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, BRD1 HRH3 322/4885TSHR 1591/4885ALDH1A1 1962/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 HRH3 3684/4885TSHR 3155/4885ALDH1A1 1936/4885
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease PIGS, BTD, PPARD HRH3 266/4885TSHR 1399/4885ALDH1A1 1567/4885

“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.