SCHEMBL2167622

SCHEMBL2167622

CN(c1cccc(C(O)CCNC(=O)OC(C)(C)C)c1)C1CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
MALT1 Q9UDY8 1/20 0.34
DRD2 P14416 2/20 0.34
GPR88 Q9GZN0 1/20 0.34
KCNA5 P22460 1/20 0.33
NQO2 P16083 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
IL1B P01584 1/20 0.33
P2RX7 Q99572 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
IDO1 P14902 1/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
RORC P51449 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CCR5 P51681 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL28043120 0.85 RAB9A (0.40)
SCHEMBL3128178 0.81 USP30 (0.39) USP30MALT1DRD2NQO2CA1
SCHEMBL28043119 0.81 NPC1 (0.38)
SCHEMBL2151345 0.80 PNMT (0.34)
SCHEMBL2167617 0.80 IL1B (0.39) DRD2IL1BP2RX7CA1CA2
SCHEMBL2173930 0.79 MALT1 (0.36) MALT1DRD2KCNA5NQO2UTS2R
SCHEMBL1724792 0.79 IL1B (0.36) MALT1DRD2GPR88KCNA5NQO2
SCHEMBL3124904 0.79 CYP3A4 (0.38) MALT1DRD2KCNA5NQO2PDK2
SCHEMBL2166671 0.78 EPHX1 (0.39) MALT1NQO2
SCHEMBL2167444 0.75 EPHX1 (0.36) DRD2GPR88KCNA5NQO2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 USP30 3490/4885MALT1 2891/4885DRD2 2075/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 USP30 3490/4885MALT1 2891/4885DRD2 2075/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 USP30 3490/4885MALT1 2891/4885DRD2 2075/4885

“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.