SCHEMBL956281

SCHEMBL956281

CC1=C(C=CC(=O)N2CCCCC2)C(C)(C)CCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
RBP4 P02753 1/20 0.56
HAO1 Q9UJM8 1/20 0.56
ALDH1A1 P00352 8/20 0.51
PTGS1 P23219 4/20 0.51
LMNA P02545 2/20 0.51
DRD3 P35462 2/20 0.51
SLCO1B3 Q9NPD5 2/20 0.51
SLCO1B1 Q9Y6L6 2/20 0.51
RARA P10276 6/20 0.51
RARB P10826 6/20 0.51
RARG P13631 6/20 0.51
RXRA P19793 6/20 0.51
MAPT P10636 5/20 0.51
CYP3A4 P08684 5/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 3/20 0.51
RORC P51449 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL956279 1.00 CYP1A2 (0.64) CYP1A2RBP4HAO1ALDH1A1PTGS1
SCHEMBL21088437 0.99 CYP1A2 (0.66) CYP1A2RBP4HAO1ALDH1A1PTGS1
SCHEMBL958504 0.89 CYP1A2 (0.62) CYP1A2RBP4HAO1ALDH1A1PTGS1
SCHEMBL954425 0.89 CYP1A2 (0.58) CYP1A2RBP4HAO1ALDH1A1PTGS1
SCHEMBL958024 0.89 CYP1A2 (0.62) CYP1A2RBP4HAO1ALDH1A1PTGS1
SCHEMBL954423 0.89 CYP1A2 (0.58) CYP1A2RBP4HAO1ALDH1A1PTGS1
SCHEMBL958357 0.89 CYP1A2 (0.65) CYP1A2RBP4HAO1ALDH1A1PTGS1
SCHEMBL958562 0.89 CYP1A2 (0.61) CYP1A2RBP4HAO1ALDH1A1PTGS1
SCHEMBL955001 0.89 CYP1A2 (0.61) CYP1A2RBP4HAO1ALDH1A1PTGS1
SCHEMBL955002 0.89 CYP1A2 (0.61) CYP1A2RBP4HAO1ALDH1A1PTGS1

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 8 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 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
EP-2442644-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2012-04-25 EP disclosed
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 US disclosed
WO-2010147653-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2010-12-23 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-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, UACA CYP1A2 4582/4885RBP4 25/4885HAO1 3585/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA CYP1A2 4582/4885RBP4 25/4885HAO1 3585/4885

“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.