SCHEMBL14891081

SCHEMBL14891081

O=C(O)CCCCC(=O)N1CCc2c(n(CCCc3cccc(Cl)c3)c3ccccc23)C1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.83
▸ PTGDR2 Q9Y5Y4 3/20 0.49
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL14891136 0.99 ENPP2 (0.81) ENPP2PTGDR2HDAC1HDAC6
SCHEMBL46294 0.91 ENPP2 (1.00) ENPP2PTGDR2HDAC1HDAC6
SCHEMBL14891883 0.90 ENPP2 (0.69) ENPP2PTGDR2
SCHEMBL14890973 0.90 ENPP2 (0.98) ENPP2PTGDR2HDAC1HDAC6
SCHEMBL14892063 0.90 ENPP2 (0.67) ENPP2PTGDR2HDAC1HDAC6
SCHEMBL14891357 0.89 ENPP2 (0.68) ENPP2PTGDR2
SCHEMBL14892390 0.88 ENPP2 (0.64) ENPP2PTGDR2HDAC1HDAC6
SCHEMBL14891635 0.85 ENPP2 (0.87) ENPP2PTGDR2HDAC1HDAC6
SCHEMBL14891182 0.84 ENPP2 (0.79) ENPP2PTGDR2
SCHEMBL14890771 0.84 ENPP2 (0.86) ENPP2PTGDR2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002285-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-08-29 — — EP disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 — — 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
EP-2592081-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2017-03-08 — — EP disclosed
EP-3002285-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2016-04-06 — — EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ENPP2 1/4885PTGDR2 104/4885HDAC1 1581/4885
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ENPP2 1/4885PTGDR2 99/4885HDAC1 1652/4885
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ENPP2 1/4885PTGDR2 99/4885HDAC1 1652/4885

“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.

Send feedback