SCHEMBL24515756

SCHEMBL24515756

N[C@H]1[C@@H](C(=O)OCc2ccccc2)[C@@H]2C=C[C@H]1C2

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.50
▸ FABP7 O15540 3/20 0.50
▸ FABP5 Q01469 3/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KDM1A O60341 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ RCOR1 Q9UKL0 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL25641874 1.00 CA1 (0.54) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL24515759 1.00 CA1 (0.54) CA1CA2ALDH1A1FABP7FABP5
Hydrochloric Acid SCHEMBL30288663 0.99 CA1 (0.53) CA1CA2ALDH1A1FABP7FABP5
Hydrochloric Acid SCHEMBL30288874 0.99 CA1 (0.53) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL3285130 0.90 CA1 (0.62) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL13197284 0.90 CA1 (0.62) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL13197296 0.90 CA1 (0.62) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL5837028 0.85 FABP7 (0.60) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL5837030 0.85 FABP7 (0.60) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL10119913 0.85 FABP7 (0.60) CA1CA2ALDH1A1FABP7FABP5

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
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 — — US 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
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 — — US disclosed
US-20230078576-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-03-16 — — 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 (3 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 CA1 2968/4885CA2 3263/4885ALDH1A1 1531/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 CA1 2968/4885CA2 3263/4885ALDH1A1 1531/4885
US-20230078576-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 CA1 2968/4885CA2 3263/4885ALDH1A1 1531/4885

“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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