SCHEMBL3395753

SCHEMBL3395753

CC1(C)COC(CCCCl)(c2ccc(F)cc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
SLC6A4 P31645 3/20 0.32
OPRM1 P35372 1/20 0.30

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
SCHEMBL7879929 0.86 GRIN1 (0.40) GRIN1GRIN2BCHRNA1CHRNGCHRNB1
SCHEMBL3900675 0.85 TAAR1 (0.35) GRIN1GRIN2B
SCHEMBL10976001 0.84 GRIN1 (0.37) GRIN1GRIN2BCHRNB2SLC6A2CHRNB4
SCHEMBL4053345 0.84 EGFR (0.32) SLC6A3SLC6A4
SCHEMBL3394435 0.82 ICMT (0.32) GRIN1GRIN2B
SCHEMBL11243462 0.82 CHRNA1 (0.34) GRIN1GRIN2BCHRNA1CHRNGCHRNB1
SCHEMBL11248890 0.82 ABCB11 (0.37) GRIN1GRIN2BCHRNA1CHRNGCHRNB1
SCHEMBL11084729 0.81 SLC6A3 (0.33) SLC6A2SLC6A3SLC6A4OPRM1
SCHEMBL4689099 0.80 HSD11B1 (0.42) GRIN1GRIN2BCHRNA1CHRNGCHRNB1
SCHEMBL11231723 0.80 GRIN1 (0.37) GRIN1GRIN2BCHRNB2SLC6A2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES WESTFALISCHE WILHELMS-UNIVERSITAT MUNSTER (DE) 2018-09-06 US disclosed
EP-3344257-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2018-07-11 EP disclosed
WO-2017036880-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2017-03-09 WO disclosed
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP disclosed
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP disclosed
WO-2010122134-A1 NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS Westfälische Wilhelms Universität Münster (DE) 2010-10-28 WO disclosed
WO-2010122134-A1 NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS Westfälische Wilhelms Universität Münster (DE) 2010-10-28 WO disclosed
US-5508400-A Preparation of cyclic urea compounds THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-16 US disclosed
US-4558049-A Antipsycotic benzoxazines FARMITALIA CARLO ERBA S.P.A. (IT) 1985-12-10 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 (1 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-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES GRIN1, GRIN2B, GRIN3B GRIN1 1/4885GRIN2B 2/4885CHRNA1 206/4885

“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.