SCHEMBL29438822

SCHEMBL29438822

CSCCC1NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C2CSSCC(NC(=O)C(N)Cc3ccc(O)cc3)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NC(CCSC)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NC(C(C)O)C(=O)NC3CSSCC(NC(=O)C(C(C)C)NC1=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c4ccccc14)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c4ccccc14)C(=O)O)CSSCC(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC3=O)C(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.66
KCNMB4 Q86W47 1/20 0.66
RXFP1 Q9HBX9 1/20 0.61
NPR1 P16066 1/20 0.60
NPR3 P17342 1/20 0.60
TSLP Q969D9 2/20 0.60
MC4R P32245 2/20 0.57
MC1R Q01726 2/20 0.57
MC3R P41968 1/20 0.57
RXFP4 Q8TDU9 4/20 0.57
RXFP3 Q9NSD7 4/20 0.57
F12 P00748 3/20 0.57
PLAU P00749 1/20 0.57
EPHA2 P29317 2/20 0.57
KLKB1 P03952 1/20 0.56
CACNA1B Q00975 1/20 0.56
F11 P03951 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
SCHEMBL29424808 0.83 RXFP1 (0.67) KCNMA1KCNMB4RXFP1NPR1NPR3
SCHEMBL29462295 0.81 MC4R (0.70) KCNMA1KCNMB4RXFP1MC4RMC1R
SCHEMBL29389059 0.81 KCNMA1 (0.66) KCNMA1KCNMB4RXFP1NPR1NPR3
Polyphemusin Ii SCHEMBL29449206 0.80 F12 (0.62) MC4RMC1RF12KLKB1
SCHEMBL28586826 0.80 RXFP4 (0.61) RXFP1NPR1NPR3MC4RMC1R
SCHEMBL15186042 0.77 BCL2L1 (0.61) NPR1NPR3MC4RMC1RMC3R
SCHEMBL29509630 0.77 F12 (0.58) KCNMA1KCNMB4MC4RMC1RF12
Carperitide SCHEMBL218549 0.77 NPR1 (0.94) KCNMA1KCNMB4RXFP1NPR1NPR3
SCHEMBL31692748 0.77 F12 (0.58) TSLPF12KLKB1F11
SCHEMBL15987248 0.77 F12 (0.58) TSLPF12KLKB1F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106656-A1 METHODS OF PREVENTING OR REDUCING CARTILAGE LOSS AND/OR JOINT DAMAGE USING NAV 1.7 INHIBITORS YALE UNIVERSITY (US) 2025-05-22 WO claimed
US-20220033795-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PAIN MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-02-03 US claimed
WO-2025106656-A1 METHODS OF PREVENTING OR REDUCING CARTILAGE LOSS AND/OR JOINT DAMAGE USING NAV 1.7 INHIBITORS YALE UNIVERSITY (US) 2025-05-22 WO disclosed
EP-4537845-A1 METHOD FOR CONTROLLING MEMBRANE POTENTIAL-DEPENDENT ION CHANNEL THROUGH TYPE I TASTE RECEPTORS (T1RS) Ion Chat Research Corporate (JP) 2025-04-16 EP disclosed
WO-2023238955-A1 METHOD FOR CONTROLLING MEMBRANE POTENTIAL-DEPENDENT ION CHANNEL THROUGH TYPE I TASTE RECEPTORS (T1RS) 株式会社 Ion Chat Research 2023-12-14 WO disclosed
US-20230374084-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.7 ALDEVRON, LLC (US) 2023-11-23 US disclosed
US-11753633-B2 Compositions and methods for treatment of pain PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-09-12 US disclosed
WO-2022066767-A2 POTENT AND SELECTIVE INHIBITORS OF NAV1.7 ALDEVRON, LLC (US) 2022-03-31 WO disclosed
EP-3973981-A1 HUWENTOXIN-IV VARIANTS AND METHODS OF USE Janssen Biotech, Inc. (US) 2022-03-30 EP disclosed
US-20220089663-A1 PROTEINS AND FLUOROPHORE-CONTAINING COMPOUNDS SELECTIVE FOR NaV1.7 MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-03-24 US disclosed
US-20220033795-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PAIN MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-02-03 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 (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-20220089663-A1 PROTEINS AND FLUOROPHORE-CONTAINING COMPOUNDS SELECTIVE FOR NaV1.7 SCN7A, CACNG7, TRPV1 KCNMA1 67/4885KCNMB4 63/4885RXFP1 1869/4885

“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.