SCHEMBL23925503

SCHEMBL23925503

CNC(=O)OCCc1ccccc1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
ALOX5 P09917 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL10884135 0.87 TAAR1 (0.47) MTNR1AMTNR1BALOX5NPSR1TAAR1
SCHEMBL13632416 0.84 MEN1 (0.55) MTNR1AMTNR1BNPSR1HPGD
SCHEMBL20072234 0.82 MTNR1A (0.59) MTNR1AMTNR1BALOX5TAAR1SIGMAR1
SCHEMBL16244485 0.81 TAAR1 (0.56) MTNR1AMTNR1BALOX5TAAR1CA12
SCHEMBL23841132 0.78 ALOX5 (0.52) MTNR1AMTNR1BALOX5TAAR1SIGMAR1
SCHEMBL23803511 0.78 ALOX5 (0.52) MTNR1AMTNR1BALOX5TAAR1SIGMAR1
SCHEMBL28324732 0.78 LMNA (0.56) MTNR1AMTNR1BALOX5TAAR1
SCHEMBL18089027 0.78 MTNR1A (0.58) MTNR1AMTNR1BHPGD
SCHEMBL7185351 0.77 MTNR1A (0.54) MTNR1AMTNR1BALOX5TAAR1SIGMAR1
SCHEMBL7189818 0.77 ALOX5 (0.61) MTNR1AMTNR1BALOX5TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787767-B2 Modulators of mas-related g-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
EP-4135691-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-02-22 EP disclosed
US-20210340106-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2021-11-04 US disclosed
WO-2021211839-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2021-10-21 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-11787767-B2 Modulators of mas-related g-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 MTNR1A 49/4885MTNR1B 43/4885ALOX5 3106/4885
US-20210340106-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MTNR1A 49/4885MTNR1B 43/4885ALOX5 3106/4885

“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.