SCHEMBL931220

SCHEMBL931220

CCC(=O)NC1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.62
EPHX1 P07099 7/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 2/20 0.56
EPHX2 P34913 2/20 0.56
MAPT P10636 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL15713113 1.00 NPSR1 (0.62) NPSR1EPHX1HPGDKMT2ALMNA
SCHEMBL18010859 1.00 NPSR1 (0.62) NPSR1EPHX1HPGDKMT2ALMNA
SCHEMBL931108 1.00 NPSR1 (0.62) NPSR1EPHX1HPGDKMT2ALMNA
SCHEMBL19669665 1.00 NPSR1 (0.62) NPSR1EPHX1HPGDKMT2ALMNA
SCHEMBL6268330 0.98 NPSR1 (0.60) NPSR1EPHX1HPGDKMT2ALMNA
SCHEMBL11592487 0.98 NPSR1 (0.60) NPSR1EPHX1HPGDKMT2ALMNA
SCHEMBL827936 0.98 SMN1; SMN2 (0.61) NPSR1EPHX1HPGDKMT2ALMNA
SCHEMBL256674 0.93
SCHEMBL11682924 0.88 MTNR1A (0.50) NPSR1EPHX1HPGDKMT2ALMNA
SCHEMBL256673 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO claimed
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 WO disclosed
US-20220016218-A1 LIPOPHILIC PEPTIDE PRODRUGS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2022-01-20 US disclosed
WO-2019204781-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE DESIGN THERAPEUTICS INC. (US) 2019-10-24 WO disclosed
WO-2017133657-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
EP-2772480-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2014-09-03 EP disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
WO-2012163456-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2012-12-06 WO disclosed
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 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-20220016218-A1 LIPOPHILIC PEPTIDE PRODRUGS VIP, SI, TMPRSS15 NPSR1 360/4885EPHX1 1146/4885HPGD 849/4885
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, OPRL1 NPSR1 42/4885EPHX1 921/4885HPGD 662/4885

“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.