SCHEMBL30181849

SCHEMBL30181849

CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.59
▸ KISS1R Q969F8 3/20 0.54
▸ ABCC2 Q92887 1/20 0.52
▸ CXCR4 P61073 7/20 0.51
▸ GNRHR P30968 1/20 0.51
▸ GLP1R P43220 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ MC4R P32245 1/20 0.50
▸ CTSL P07711 1/20 0.49
▸ CTSH P09668 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49

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
SCHEMBL29391874 0.96 C5AR1 (0.59) C5AR1KISS1RABCC2CXCR4GNRHR
SCHEMBL29520158 0.92 C5AR1 (0.61) C5AR1KISS1RABCC2CXCR4GNRHR
SCHEMBL29390323 0.92 ABCC2 (0.63) C5AR1ABCC2GNRHRPTGS1
SCHEMBL29391110 0.92 C5AR1 (0.64) C5AR1KISS1RABCC2CXCR4GNRHR
SCHEMBL29942618 0.90 C5AR1 (0.64) C5AR1KISS1RABCC2CXCR4GNRHR
SCHEMBL30271248 0.90 C5AR1 (0.64) C5AR1KISS1RABCC2CXCR4GNRHR
SCHEMBL22288702 0.89 KISS1R (0.57) C5AR1KISS1RABCC2CXCR4GNRHR
SCHEMBL22288705 0.89 KISS1R (0.57) C5AR1KISS1RABCC2CXCR4GNRHR
SCHEMBL29425255 0.89 C5AR1 (0.68) C5AR1KISS1RCXCR4GLP1RMC4R
SCHEMBL34464914 0.89 GNRHR (0.60) C5AR1KISS1RABCC2CXCR4GNRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509435-B2 Compounds for selective binding to estrogen receptors alpha/beta relative to GPER/GPR30 and methods of treating disease states and conditions mediated through these receptors UNM RAINFOREST INNOVATIONS (US) 2025-12-30 — — US disclosed
US-20230039502-A1 COMPOUNDS FOR SELECTIVE BINDING TO ESTROGEN RECEPTORS ALPHA/BETA RELATIVE TO GPER/GPR30 AND METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS UNM RAINFOREST INNOVATIONS 2023-02-09 — — 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 (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-12509435-B2 Compounds for selective binding to estrogen receptors alpha/beta relative to GPER/GPR30 and methods of treating disease states and conditions mediated through these receptors GPER1, ESR2, ESRRG C5AR1 2206/4885KISS1R 100/4885ABCC2 2017/4885
US-20230039502-A1 COMPOUNDS FOR SELECTIVE BINDING TO ESTROGEN RECEPTORS ALPHA/BETA RELATIVE TO GPER/GPR30 AND METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS GPER1, GPR35, GPR34 C5AR1 3213/4885KISS1R 93/4885ABCC2 2313/4885

“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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