SCHEMBL25632884

SCHEMBL25632884

CCCCCCC(CCCCCC)c1ccc(C)nn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.36
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CYP19A1 P11511 3/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ CYSLTR2 Q9NS75 1/20 0.31
▸ CYSLTR1 Q9Y271 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL23869345 1.00 NR1I2 (0.36) NR1I2PRSS1PRSS2PRSS3HTT
SCHEMBL25805085 0.81 NR1I2 (0.36) NR1I2SLC2A1CSNK1E
SCHEMBL18552698 0.79 KCNH2 (0.44) NR1I2KCNH2LMNACYP19A1CYSLTR2
SCHEMBL21501795 0.78 APLNR (0.31) —
SCHEMBL20392678 0.77 NR1I2 (0.39) NR1I2KCNH2
SCHEMBL24179175 0.76 NR1I2 (0.38) NR1I2KCNH2
SCHEMBL21661962 0.74 FAAH (0.40) NR1I2KCNH2LMNACYP19A1CSNK1E
SCHEMBL20442236 0.74 FAAH (0.40) NR1I2KCNH2LMNACYP19A1CSNK1E
SCHEMBL18948444 0.74 KDM4E (0.39) NR1I2HTTSLC2A1
SCHEMBL23347114 0.74 KCNH2 (0.42) NR1I2HTTKCNH2LMNACSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 — — 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 (1 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-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 NR1I2 665/4885PRSS1 3345/4885PRSS2 3547/4885

“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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