SCHEMBL17502311

SCHEMBL17502311

FC(F)Oc1cc(-n2cc(Cn3ccnc3C3CC3)nn2)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 17/20 1.00
▸ GRIN1 Q05586 3/20 0.64
▸ GRIN2B Q13224 3/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C8 P10632 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ RXRA P19793 2/20 0.61

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
SCHEMBL17502234 0.85 KCNH2 (1.00) KCNH2GRIN1GRIN2BCYP1A2CYP3A4
SCHEMBL17502250 0.85 KCNH2 (1.00) KCNH2GRIN1GRIN2BCYP1A2CYP3A4
SCHEMBL17502219 0.85 KCNH2 (1.00) KCNH2GRIN1GRIN2BRXRA
SCHEMBL17502317 0.85 KCNH2 (1.00) KCNH2
SCHEMBL17502334 0.84 KCNH2 (1.00) KCNH2
SCHEMBL17502332 0.83 KCNH2 (1.00) KCNH2GRIN1GRIN2BCYP1A2CYP3A4
SCHEMBL17502238 0.83 KCNH2 (1.00) KCNH2GRIN1GRIN2BCYP1A2CYP3A4
SCHEMBL17502290 0.83 KCNH2 (1.00) KCNH2GRIN1GRIN2BCYP1A2CYP3A4
SCHEMBL17502314 0.83 KCNH2 (1.00) KCNH2GRIN1GRIN2BCYP1A2CYP3A4
SCHEMBL17502210 0.82 KCNH2 (1.00) KCNH2GRIN1GRIN2BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180329-B1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2020-03-18 — — EP claimed
US-10323021-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2019-06-18 — — US claimed
US-20180282305-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2018-10-04 — — US claimed
US-9981950-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-05-29 — — US claimed
EP-3180329-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2017-06-21 — — EP claimed
WO-2016025917-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-02-18 — — WO claimed
EP-3180329-B1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2020-03-18 — — EP disclosed
EP-3180329-B1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2020-03-18 — — EP disclosed
US-10323021-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2019-06-18 — — US disclosed
US-10323021-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2019-06-18 — — US disclosed
US-20180282305-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2018-10-04 — — US disclosed
US-9981950-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-05-29 — — US disclosed
US-9981950-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-05-29 — — US disclosed
US-9981950-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-05-29 — — US disclosed
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2017-08-10 — — US disclosed
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2017-08-10 — — US disclosed
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2017-08-10 — — US disclosed
EP-3180329-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2017-06-21 — — EP disclosed
WO-2016025917-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-02-18 — — 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 (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-20180282305-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS GRIN2B, GRIN1, GRIN3A KCNH2 2545/4885GRIN1 2/4885GRIN2B 1/4885
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS GRIN2B, GRIN1, GRIN3A KCNH2 2545/4885GRIN1 2/4885GRIN2B 1/4885
US-10323021-B2 Triazoles as NR2B receptor inhibitors GRIN2B, GRIN1, GRIN3A KCNH2 2545/4885GRIN1 2/4885GRIN2B 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.

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