SCHEMBL957075

SCHEMBL957075

CNC(=O)C1CN(C(=O)O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
HTRA1 Q92743 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28060561 0.86 NR1H2 (0.53) HSD17B10PTPN1SMN1; SMN2NPC1NR1H2
SCHEMBL29695403 0.85 HSD17B10 (0.50) HSD17B10SMN1; SMN2NPC1NR1H2NR1H3
SCHEMBL6992304 0.85 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1NR1H2NR1H3
SCHEMBL3506614 0.85 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1NR1H2NR1H3
SCHEMBL28459854 0.84 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1NR1H2NR1H3
SCHEMBL20583848 0.84 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1NR1H2NR1H3
SCHEMBL23458144 0.83 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1NR1H2NR1H3
SCHEMBL21714024 0.83 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1NR1H2NR1H3
SCHEMBL21854753 0.82 POLB (0.38) SMN1; SMN2ALDH1A1POLB
SCHEMBL34473207 0.81 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1NR1H2NR1H3

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 HSD17B10 2946/4885PTPN1 1966/4885SMN1; SMN2 2172/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA HSD17B10 2946/4885PTPN1 1966/4885SMN1; SMN2 2172/4885

“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.