SCHEMBL956460

SCHEMBL956460

CC1CN(C(=O)O)CCN1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.35
CPS1 P31327 1/20 0.34
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GHSR Q92847 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL17061934 0.86 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL21354258 0.86 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL17061936 0.86 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL4842013 0.85 TSHR (0.37) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL4150920 0.84 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL7995036 0.84 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL28572878 0.81 TSHR (0.39) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL16010481 0.81 TSHR (0.39) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL16009932 0.81 TSHR (0.39) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL5010169 0.80 SMN1; SMN2 (0.37) TSHRLMNAALOX15HSD17B10L3MBTL1

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 TSHR 2000/4885LMNA 1317/4885ALOX15 4274/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA TSHR 2000/4885LMNA 1317/4885ALOX15 4274/4885

“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.