SCHEMBL440156

SCHEMBL440156

O=C(O)CN(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN9A Q15858 2/20 0.43
AKR1B1 P15121 1/20 0.42

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
Water SCHEMBL28256553 0.98 NPSR1 (0.46) NPSR1MTNR1AMTNR1BALDH1A1KMT2A
Sulfuric Acid SCHEMBL1626445 0.91 L3MBTL1 (0.43) NPSR1MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL28088208 0.89 SCN9A (0.44) NPSR1MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL9632432 0.88 KEAP1 (0.51) MTNR1AMTNR1BKMT2ANPC1RAB9A
SCHEMBL2485185 0.88 SCN9A (0.52) MTNR1AMTNR1BKMT2ATSHRKCNH2
SCHEMBL11341409 0.88 KEAP1 (0.45) NPSR1MTNR1AMTNR1BNPC1HTT
SCHEMBL5690847 0.88 ALDH1A1 (0.52) NPSR1MTNR1AMTNR1BALDH1A1KMT2A
Toluene SCHEMBL9461781 0.88 KEAP1 (0.44) NPSR1MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL2484595 0.88 CACNA2D1 (0.49) NPSR1ALDH1A1KMT2ANPC1POLB
SCHEMBL329646 0.85 NPSR1 (0.48) NPSR1MTNR1AMTNR1BALDH1A1KMT2A

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 477 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096781-A1 METHODS AND COMPOSITIONS FOR PROVIDING CUSTOMIZED SKIN REGIMENS VIBRANT HOLDINGS, LLC (US) 2025-05-08 WO claimed
CN-119654151-A Composition for caring skin 莱雅公司 2025-03-18 CN claimed
CN-103379911-A PGC-1 alpha modulating peptides LIPOTEC SA 2013-10-30 CN claimed
US-8314069-B2 Peptide nanostructures encapsulating a foreign material and method of manufacturing same RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-11-20 US claimed
US-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION SHAPIRO STANLEY S (US) 2012-02-02 US claimed
US-20110266517-A1 PEPTIDE NANOSTRUCTURES ENCAPSULATING A FOREIGN MATERIAL AND METHOD OF MANUFACTURING SAME RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-11-03 US claimed
EP-1575867-B1 PEPTIDE NANOSTRUCTURES, METHODS FOR THEIR PREPARATION AND USE UNIV RAMOT (IL) 2011-05-18 EP claimed
JP-4401441-B2 2010-01-20 JP claimed
CN-101421297-A Peptides that block the binding of igg to fcrn SYNTONIX PHARMACEUTICALS INC (US) 2009-04-29 CN claimed
EP-1356142-B1 NON-POSTDRAWN POLYOLEFIN FIBERS WITH HIGH TENACITY BOREALIS GMBH (AT) 2006-04-19 EP claimed
CN-1192747-A Peptidyl heterocyclic compounds for the treatment of thrombin-related diseases ORTHO PHARMA CORP (US) 1998-09-09 CN claimed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP claimed
WO-1998011125-A1 IMPROVED SOLID-PHASE PEPTIDE SYNTHESIS AND AGENT FOR USE IN SUCH SYNTHESIS ZEALAND PHARMACEUTICALS A/S (DK) 1998-03-19 WO claimed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed
US-5399570-A Aspartic acid derivatives, and their use for inhibiting platelete aggregation CASSELLA AKTIENGESELLSCHAFT (DE) 1995-03-21 US claimed
US-5153236-A Comprising an N-aryl-alpha-amino acid and a photosensitizer such as a thixoanthone, isoalloxazine or coumarine; high sensitivity to UV and visible light; storage stability; photoresists; relief images HITACHI CHEMICAL CO., LTD. (JP) 1992-10-06 US claimed
US-4419490-A GROUP 8 METAL HEYL & CO. CHEMISCH-PHARMAZEUTISCHE FABRIK (DE) 1983-12-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION TYR, MC1R, NQO1 NPSR1 3552/4885MTNR1A 255/4885MTNR1B 184/4885

“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.