SCHEMBL24516552

SCHEMBL24516552

COC(=O)[C@@H]1[C@H](N)[C@H]2C=C[C@@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ PPM1B O75688 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PPP1CC P36873 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34

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
SCHEMBL18739821 1.00 ALDH1A1 (0.43) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB
SCHEMBL3211023 1.00 ALDH1A1 (0.43) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB
SCHEMBL31396028 1.00 ALDH1A1 (0.43) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB
SCHEMBL3211034 1.00 ALDH1A1 (0.43) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB
SCHEMBL12292157 1.00 ALDH1A1 (0.43) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB
SCHEMBL17790447 1.00 ALDH1A1 (0.43) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB
Hydrochloric Acid SCHEMBL30288738 0.98 ALDH1A1 (0.42) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB
Hydrochloric Acid SCHEMBL30288799 0.98 ALDH1A1 (0.42) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB
Hydrochloric Acid SCHEMBL30288660 0.98 ALDH1A1 (0.42) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB
SCHEMBL5732376 0.86 ALDH1A1 (0.44) ALDH1A1CYP2C19KDM4ESMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237512-A1 COMBINATIONS OF RXFP1 MODULATORS AND SGLT2 INHIBITORS ASTRAZENECA AB (SE) 2023-12-14 — — WO disclosed
WO-2023237510-A1 SOLID FORMS OF RXFP1 MODULATORS ASTRAZENECA AB (SE) 2023-12-14 — — WO disclosed
WO-2023237511-A1 RXFP1 MODULATORS FOR TREATING RESISTANT HYPERTENSION OR HEART FAILURE WITH PULMONARY HYPERTENSION ASTRAZENECA AB (SE) 2023-12-14 — — WO disclosed
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 — — US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 — — US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 — — US disclosed
WO-2022122773-A1 4-(2-FLUORO-4-METHOXY-5-3-(((1-METHYLCYCLOBUTYL)METHYL)CARBAMOYL)BICYCLO[2.2.1]HEPTAN-2-YL)CARBAMOYL)PHENOXY)-1-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE ASTRAZENECA AB (SE) 2022-06-16 — — WO 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-11667602-B2 Compounds and their use RXFP1, RXFP3, RXFP2 ALDH1A1 1531/4885CYP2C19 3076/4885KDM4E 2832/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 ALDH1A1 1531/4885CYP2C19 3076/4885KDM4E 2832/4885

“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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