SCHEMBL318903

SCHEMBL318903

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(c1ccc([N+](=O)[O-])cc1)CN2c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
NPC1L1 Q9UHC9 7/20 0.51
CCR5 P51681 2/20 0.45
USP30 Q70CQ3 1/20 0.45
DDR1 Q08345 4/20 0.42
GPR119 Q8TDV5 1/20 0.42
ATM Q13315 1/20 0.40

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
SCHEMBL17140722 0.87 MAPT (0.59) ALDH1A1LMNAMAPTNPC1L1CCR5
SCHEMBL319067 0.87 NPC1L1 (0.55) NPC1L1CCR5USP30DDR1GPR119
SCHEMBL318333 0.86 NPC1L1 (0.56) ALDH1A1LMNAMAPTNPC1L1CCR5
SCHEMBL20187164 0.83 DDR1 (0.56) NPC1L1CCR5USP30DDR1GPR119
SCHEMBL20187112 0.81 DDR1 (0.55) MAPTNPC1L1CCR5USP30DDR1
SCHEMBL318306 0.81 NPC1L1 (0.50) NPC1L1CCR5USP30DDR1GPR119
SCHEMBL7845129 0.80 NPC1L1 (0.58) NPC1L1CCR5USP30DDR1GPR119
SCHEMBL17140692 0.80 NPC1L1 (0.58) NPC1L1CCR5USP30GPR119ATM
SCHEMBL17141181 0.79 ALDH1A1 (0.59) ALDH1A1LMNAMAPTCCR5
SCHEMBL12338068 0.78 OPRM1 (0.59) NPC1L1CCR5USP30DDR1GPR119

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
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 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 (2 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 ALDH1A1 873/4885LMNA 4596/4885MAPT 3767/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 ALDH1A1 873/4885LMNA 4596/4885MAPT 3767/4885

“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.