SCHEMBL22702633

SCHEMBL22702633

CC(C)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CC(C)C)cc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.38
▸ NPY4R P50391 6/20 0.38
▸ NPY1R P25929 5/20 0.38
▸ NPY5R Q15761 4/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ FURIN P09958 2/20 0.38
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRND Q07001 1/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ HTT P42858 1/20 0.35

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
SCHEMBL24591729 0.94 GLP1R (0.39) TRPV1NPY4RNPY1RNPY5RNPY2R
SCHEMBL22702532 0.92 FURIN (0.38) NPY4RNPY1RFURINCHRNA1CHRNG
SCHEMBL22702534 0.92 TRPV1 (0.39) TRPV1NPY4RNPY1RNPY5RNPY2R
SCHEMBL25830868 0.92 FURIN (0.36) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL22702667 0.91 FURIN (0.40) TRPV1NPY4RNPY1RNPY5RNPY2R
SCHEMBL25726157 0.91 CHRND (0.41) TRPV1NPY4RNPY1RNPY5RNPY2R
SCHEMBL25726153 0.91 CHRND (0.41) TRPV1NPY4RNPY1RNPY5RNPY2R
SCHEMBL22336351 0.91 TRPV1 (0.44) TRPV1NPY4RNPY1RNPY5RNPY2R
SCHEMBL22336348 0.91 TRPV1 (0.44) TRPV1NPY4RNPY1RNPY5RNPY2R
SCHEMBL22702587 0.90 FURIN (0.39) TRPV1NPY4RNPY1RNPY5RNPY2R

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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 — — US disclosed
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 — — US disclosed
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 — — US disclosed
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-09-14 — — US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 — — US disclosed
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof Regeneran Pharmaceuticals, Inc. (US) 2023-06-06 — — US disclosed
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof Regeneran Pharmaceuticals, Inc. (US) 2023-06-06 — — US disclosed
US-20200368361-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2020-11-26 — — 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 (6 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R TRPV1 1207/4885NPY4R 460/4885NPY1R 451/4885
US-20200368361-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF ASGR1, CUTA, SRPRA TRPV1 4489/4885NPY4R 4005/4885NPY1R 2542/4885
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS TRPV1 4865/4885NPY4R 2169/4885NPY1R 3105/4885
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof ASGR1, CUTA, SRPRA TRPV1 4489/4885NPY4R 4005/4885NPY1R 2542/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS TRPV1 4865/4885NPY4R 2169/4885NPY1R 3105/4885
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF ASGR1, CUTA, SRPRA TRPV1 4489/4885NPY4R 4005/4885NPY1R 2542/4885

“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.

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