SCHEMBL14891635

SCHEMBL14891635

O=C(O)CCCCC(=O)N1CCc2c(n(CCCc3ccc(F)cc3)c3ccccc23)C1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.87
▸ PTGDR2 Q9Y5Y4 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC1 Q13547 1/20 0.47

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
SCHEMBL14890771 0.99 ENPP2 (0.86) ENPP2PTGDR2KDM4EALDH1A1HDAC6
SCHEMBL46294 0.93 ENPP2 (1.00) ENPP2PTGDR2KDM4EALDH1A1HDAC6
SCHEMBL14890973 0.92 ENPP2 (0.98) ENPP2PTGDR2KDM4EALDH1A1HDAC6
SCHEMBL14892028 0.90 ENPP2 (0.69) ENPP2PTGDR2
SCHEMBL46605 0.89 ENPP2 (0.70) ENPP2PTGDR2HDAC6HDAC1
SCHEMBL14891076 0.89 ENPP2 (0.70) ENPP2PTGDR2HDAC6HDAC1
SCHEMBL14890870 0.89 ENPP2 (0.68) ENPP2PTGDR2
SCHEMBL14891590 0.87 ENPP2 (0.67) ENPP2PTGDR2KDM4EHDAC6HDAC1
SCHEMBL14891081 0.85 ENPP2 (0.83) ENPP2PTGDR2HDAC6HDAC1
SCHEMBL14891136 0.84 ENPP2 (0.81) ENPP2PTGDR2HDAC6HDAC1

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 104/4885KDM4E 3970/4885
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ENPP2 1/4885PTGDR2 99/4885KDM4E 4004/4885
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ENPP2 1/4885PTGDR2 99/4885KDM4E 4004/4885

“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