SCHEMBL1600902

SCHEMBL1600902

CC(=O)N[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
KDM1A O60341 10/20 0.55
CNR1 P21554 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
EPHX2 P34913 4/20 0.54
MAOB P27338 2/20 0.53
TLR2 O60603 1/20 0.52
TLR1 Q15399 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAOA P21397 1/20 0.51

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
SCHEMBL25021708 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL1197466 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL13794162 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL14544486 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL862934 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
Hydrochloric Acid SCHEMBL28254537 0.98 SMN1; SMN2 (0.96) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL12539724 0.86 SMN1; SMN2 (0.76) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL12539722 0.86 SMN1; SMN2 (0.76) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL6154005 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1HRH3
SCHEMBL7980208 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1HRH3

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
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US 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 (5 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A SMN1; SMN2 4806/4885NPSR1 2141/4885MTNR1A 844/4885
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 SMN1; SMN2 4036/4885NPSR1 854/4885MTNR1A 337/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A SMN1; SMN2 4806/4885NPSR1 2141/4885MTNR1A 844/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B SMN1; SMN2 4623/4885NPSR1 1491/4885MTNR1A 1529/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A SMN1; SMN2 4806/4885NPSR1 2141/4885MTNR1A 844/4885

“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.