SCHEMBL692592

SCHEMBL692592

S=C1CCCc2ccccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 2/20 0.61
KDM4E B2RXH2 2/20 0.61
HSP90AA1 P07900 1/20 0.61
THRB P10828 1/20 0.61
HK1 P19367 1/20 0.61
MAPK1 P28482 1/20 0.61
RECQL P46063 1/20 0.61
RAB9A P51151 1/20 0.61
GALK1 P51570 1/20 0.61
BLM P54132 1/20 0.61
HKDC1 Q2TB90 1/20 0.61
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL88725 0.87 MEN1 (0.65) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL4861947 0.84 MAPT (0.72) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL22044245 0.78 MAPT (0.63) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL29453856 0.76 KMT2A (1.00) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL88685 0.76 KMT2A (1.00) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL7622487 0.75 MAPT (0.60) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL518954 0.75 MAPT (1.00) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL407439 0.74 NPC1 (0.70) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL14008720 0.73 AHR (0.47) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL28379043 0.73 MAPT (0.42) MAPTMEN1KMT2ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724192-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS Richter Gedeon Nyrt. (HU) 2020-10-21 EP claimed
WO-2019116324-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2019-06-20 WO claimed
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP disclosed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP disclosed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP disclosed
EP-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 US disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 US disclosed
WO-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 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 (5 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-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAPT 4016/4885MEN1 2826/4885KMT2A 2053/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAPT 4016/4885MEN1 2826/4885KMT2A 2053/4885
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors TGFBR1, TGFBR2, ACVR1 MAPT 4081/4885MEN1 1055/4885KMT2A 2663/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAPT 4016/4885MEN1 2826/4885KMT2A 2053/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAPT 4016/4885MEN1 2826/4885KMT2A 2053/4885

“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.