SCHEMBL15418041

SCHEMBL15418041

C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C(=O)[C@H]1CN(C(=O)O)CCO1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL16471569 0.89 REN (0.44) RENALDH1A1MAPTPARP1KDM4E
SCHEMBL16360453 0.89 REN (0.44) RENALDH1A1MAPTPARP1KDM4E
SCHEMBL16478419 0.83 REN (0.66) REN
SCHEMBL16478491 0.83 REN (0.66) REN
SCHEMBL15418093 0.76 REN (0.65) REN
SCHEMBL15417903 0.76 REN (0.58) REN
SCHEMBL17005470 0.71 REN (0.40) REN
SCHEMBL17005410 0.71 REN (0.38) REN
SCHEMBL16471543 0.71 REN (0.65) REN
SCHEMBL15418018 0.69 REN (0.62) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-12-18 — — US disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 — — EP disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 — — US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 — — US disclosed
EP-2687518-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 — — EP disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — 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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885ALDH1A1 2704/4885MAPT 3045/4885
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound REN, AGTR1, AGTR2 REN 1/4885ALDH1A1 2704/4885MAPT 3045/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885ALDH1A1 2704/4885MAPT 3045/4885

“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