SCHEMBL46293

SCHEMBL46293

c1ccc(CCCn2c3c(c4ccccc42)CCNC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ENPP2 Q13822 1/20 0.52
HTR6 P50406 1/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALB P02768 3/20 0.46
BCHE P06276 3/20 0.46
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
HTR3A P46098 1/20 0.44

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 SCHEMBL14892472 0.99 HDAC1 (0.51) HDAC1HDAC6ENPP2HTR6HTR2A
SCHEMBL6422248 0.84 HDAC1 (0.69) HDAC1HDAC6HTR6HTR2AHTR2C
SCHEMBL9615110 0.83 NPC1 (0.54) HDAC1HDAC6HTR6HTR2AHTR2C
SCHEMBL14963889 0.83 ALB (0.55) HDAC1HDAC6HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL9615118 0.83 HDAC1 (0.67) HDAC1HDAC6HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL9615105 0.82 KDM4E (0.53) HDAC1HDAC6HTR6HTR2AHTR2C
SCHEMBL4300297 0.81 HDAC1 (0.53) HDAC1HDAC6HTR6HTR2AHTR2C
SCHEMBL928866 0.79 HTR6 (0.52) HDAC1HDAC6HTR6HTR2AHTR2C
SCHEMBL18597484 0.79 ENPP2 (0.62) HDAC1HDAC6ENPP2HTR6
SCHEMBL12951709 0.78 HDAC6 (0.55) HDAC1HDAC6HTR6HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9862721-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-01-09 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-9636330-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-02 US disclosed
US-9636330-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-02 US disclosed
EP-2592081-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2017-03-08 EP disclosed
EP-2687531-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2016-07-13 EP disclosed
US-9353113-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-31 US disclosed
US-20160031884-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-02-04 US disclosed
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-20 US disclosed
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-20 US disclosed
US-9006246-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-14 US disclosed
US-9006246-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-14 US disclosed
EP-2687531-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
EP-2592081-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2013-05-15 EP disclosed
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-02 US disclosed
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-02 US disclosed
WO-2012005227-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-01-12 WO 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-20160031884-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 HDAC1 1652/4885HDAC6 1626/4885ENPP2 1/4885
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 HDAC1 1581/4885HDAC6 1595/4885ENPP2 1/4885
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 HDAC1 1652/4885HDAC6 1626/4885ENPP2 1/4885
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 HDAC1 1652/4885HDAC6 1626/4885ENPP2 1/4885

“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.