SCHEMBL3662230

SCHEMBL3662230

O=C(O)CN1CCC(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.58
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL3664387 0.91 BACE1 (0.53) BACE1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3661573 0.88 BACE1 (0.49) BACE1
SCHEMBL9872721 0.86 CYP2D6 (0.47) BACE1CYP2D6HTR2AHTR2C
SCHEMBL11795167 0.86 SLC6A4 (0.56) BACE1HTR2AHTR2C
SCHEMBL3663874 0.85 SLC6A9 (0.53) BACE1
SCHEMBL14282941 0.84 PRCP (0.54) BACE1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3661505 0.83 BACE1 (0.45) BACE1KDM4E
SCHEMBL14282927 0.83 BACE1 (0.52) BACE1KDM4ETSHRNPC1
SCHEMBL3661510 0.82 BACE1 (0.48) BACE1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11791324 0.81 HTR2A (0.61) BACE1KDM4ECYP2D6TSHRHTR2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231601-A2 GLYCINE TRANSPORTER-1 INHIBITORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075857-A2 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2009-06-18 WO claimed
US-8258306-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2012-09-04 US disclosed
US-20100298341-A1 Glycine Transporter-1 Inhibitors AMGEN INC. 2010-11-25 US disclosed
EP-2231601-A2 GLYCINE TRANSPORTER-1 INHIBITORS Amgen, Inc (US) 2010-09-29 EP disclosed
EP-1742707-A4 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2009-08-05 EP disclosed
WO-2009075857-A2 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2009-06-18 WO disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
EP-1443929-A4 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2008-02-06 EP disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
WO-2005103041-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-12-22 WO disclosed
WO-2005103041-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION, INC. (US) 2005-11-03 WO disclosed
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2005-04-14 US disclosed
US-20050009730-A1 Treatment of cns disorders using cns target modulators HYPNION, INC. 2005-01-13 US disclosed
WO-2003032912-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-01-06 WO disclosed
EP-1443929-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS Hypnion, Inc. (US) 2004-08-11 EP disclosed
US-20040142972-A1 CNS target modulators HYPNION, INC. 2004-07-22 US disclosed
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2003-10-02 US disclosed
WO-2003032912-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION, INC. (US) 2003-04-24 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 (5 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-20050009730-A1 Treatment of cns disorders using cns target modulators HCRTR2, CNR2, CNR1 BACE1 1442/4885KDM4E 331/4885CYP1A2 512/4885
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, CNR2, CNR1 BACE1 1442/4885KDM4E 331/4885CYP1A2 512/4885
US-20100298341-A1 Glycine Transporter-1 Inhibitors SLC18A2, SLC7A11, SLC6A5 BACE1 201/4885KDM4E 3389/4885CYP1A2 993/4885
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, HRH3, HCRTR1 BACE1 1266/4885KDM4E 275/4885CYP1A2 612/4885
US-20040142972-A1 CNS target modulators HCRTR2, CNR2, CNR1 BACE1 1227/4885KDM4E 268/4885CYP1A2 382/4885

“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.