SCHEMBL956818

SCHEMBL956818

CC1=C(C=CC(=O)N2CCNCC2)C(C)(C)CCC1(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
RBP4 P02753 1/20 0.33
CYP1A2 P05177 1/20 0.33
GPR183 P32249 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32
AR P10275 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
QPCT Q16769 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL956817 1.00 MAPT (0.35) MAPTRBP4CYP1A2GPR183ALDH1A1
SCHEMBL18472126 0.86 ITGAL (0.42) MAPTRBP4CYP1A2GPR183ALDH1A1
SCHEMBL956508 0.85 MAPT (0.35) MAPTRBP4CYP1A2GPR183ALDH1A1
SCHEMBL956507 0.85 MAPT (0.35) MAPTRBP4CYP1A2GPR183ALDH1A1
SCHEMBL957651 0.78 CYP1A2 (0.59) MAPTRBP4CYP1A2ALDH1A1LMNA
SCHEMBL957649 0.78 CYP1A2 (0.59) MAPTRBP4CYP1A2ALDH1A1LMNA
SCHEMBL2137774 0.76 GPR183 (0.34) MAPTGPR183LMNAPOLBAR
SCHEMBL956173 0.76 CYP1A2 (0.55) MAPTCYP1A2ALDH1A1LMNAAR
SCHEMBL956170 0.76 CYP1A2 (0.55) MAPTCYP1A2ALDH1A1LMNAAR
SCHEMBL955531 0.76 CYP1A2 (0.44) MAPTRBP4CYP1A2ALDH1A1LMNA

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
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
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 MAPT 741/4885RBP4 25/4885CYP1A2 4582/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA MAPT 741/4885RBP4 25/4885CYP1A2 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.