SCHEMBL955700

SCHEMBL955700

CC1=C(C=CC(=O)N2CCN(C(N)=O)CC2)C(C)(C)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALOX15 P16050 1/20 0.51
CYP1A2 P05177 1/20 0.36
RBP4 P02753 1/20 0.35
GAA P10253 3/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
ALDH1A1 P00352 2/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR183 P32249 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL955699 1.00 MAPT (0.51) MAPTALOX15CYP1A2RBP4GAA
SCHEMBL955384 0.88 MAPT (0.52) MAPTALOX15CYP1A2RBP4POLB
SCHEMBL955385 0.88 MAPT (0.52) MAPTALOX15CYP1A2RBP4POLB
SCHEMBL18472108 0.88 MAPT (0.55) MAPTALOX15CYP1A2RBP4POLB
SCHEMBL958099 0.81 CYP1A2 (0.59) MAPTALOX15CYP1A2RBP4HAO1
SCHEMBL958101 0.81 CYP1A2 (0.59) MAPTALOX15CYP1A2RBP4HAO1
SCHEMBL955100 0.79 CYP1A2 (0.57) MAPTALOX15CYP1A2RBP4HAO1
SCHEMBL955099 0.79 CYP1A2 (0.57) MAPTALOX15CYP1A2RBP4HAO1
SCHEMBL956507 0.77 MAPT (0.35) MAPTCYP1A2RBP4GAAHTT
SCHEMBL18467369 0.77 MAPT (0.35) MAPTCYP1A2RBP4GAAHTT

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
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP claimed
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS INC. (US) 2017-02-09 US disclosed
US-9562022-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
EP-3100723-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2016-12-07 EP disclosed
EP-2442644-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2016-08-10 EP disclosed
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 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 (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-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, UACA MAPT 741/4885ALOX15 4274/4885CYP1A2 4582/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA MAPT 741/4885ALOX15 4274/4885CYP1A2 4582/4885

“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.