SCHEMBL957418

SCHEMBL957418

NC(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
LTA4H P09960 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LDHA P00338 1/20 0.30
LDHB P07195 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
SCHEMBL31478000 1.00 ALDH1A1 (0.39) ALDH1A1HTTNPSR1HTR1AHTR2A
SCHEMBL7919866 0.89 ALDH1A1 (0.42) ALDH1A1HTTNPSR1HTR1AHTR2A
SCHEMBL422638 0.87
SCHEMBL572569 0.87 ALDH1A1 (0.45) ALDH1A1HTTNPSR1HTR1AHTR2A
SCHEMBL16904 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EGAAPOLBCYP1A2
SCHEMBL28468317 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EGAAPOLBCYP1A2
SCHEMBL9079929 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EGAAPOLBCYP1A2
SCHEMBL145307 0.84
SCHEMBL28497988 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EGAAPOLBCYP1A2
Hydrochloric Acid SCHEMBL10787986 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EGAAPOLBCYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777381-B Vitamin B-containing medium-trace element compound fertilizer and preparation method thereof 河南捷农生化有限公司 2020-03-24 CN claimed
CN-105777381-B Vitamin B-containing medium-trace element compound fertilizer and preparation method thereof 河南捷农生化有限公司 2020-03-24 CN disclosed
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
WO-2016173948-A1 INDAZOLOPYRIMIDINONES AS FIBRINOLYSIS INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 WO disclosed
EP-2442644-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2016-08-10 EP disclosed
CN-104981247-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2015-10-14 CN 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 ALDH1A1 2958/4885HTT 1014/4885NPSR1 2835/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA ALDH1A1 2958/4885HTT 1014/4885NPSR1 2835/4885

“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.