SCHEMBL12509

SCHEMBL12509

Cc1ccc(OCCN(C)C)nc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.47
TDO2 P48775 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1B P28222 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL10196594 0.91 CYP1A2 (0.53) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2880088 0.80 TDO2 (0.47) HTR7TDO2CHRNB2CHRNA4HTR1B
SCHEMBL30615515 0.80 HTR7 (0.46) HTR7TDO2CHRNB2CHRNA4KDM4E
SCHEMBL529529 0.80 HTR7 (0.46) HTR7TDO2CHRNB2CHRNA4KDM4E
SCHEMBL1181640 0.80 HTR7 (0.54) HTR7TDO2CHRNB2CHRNA4KDM4E
SCHEMBL2215553 0.80 HTR7 (0.46) HTR7TDO2CHRNB2CHRNA4HTR1B
Hydrochloric Acid SCHEMBL22165813 0.79 HTR7 (0.45) HTR7TDO2CHRNB2CHRNA4KDM4E
SCHEMBL8282593 0.79 CCR1 (0.43) KDM4ECYP2D6ALDH1A1TDP1GAA
SCHEMBL13313011 0.78 KDM4E (0.40) KDM4EALDH1A1TDP1GAA
SCHEMBL14294899 0.77 KDM4E (0.55) KDM4ECYP2D6ALDH1A1TDP1HRH3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
WO-2018049296-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-03-15 WO disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US disclosed
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
EP-2133353-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-12-16 EP disclosed
EP-1396487-B1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-12-10 EP disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 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 (2 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-20110028715-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 HTR7 74/4885TDO2 328/4885CHRNB2 568/4885
US-20100093998-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 HTR7 75/4885TDO2 313/4885CHRNB2 643/4885

“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.