SCHEMBL9516955

SCHEMBL9516955

O=C(Cc1ccccc1)NC1CCCCC1N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.67
▸ EPHX2 P34913 1/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ CHRNA7 P36544 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL27494378 0.86 SIGMAR1 (0.75) SIGMAR1OPRM1OPRK1CHRNA7
SCHEMBL5142329 0.81 OPRM1 (0.61) SIGMAR1OPRM1OPRK1CHRNA7MEN1
SCHEMBL10340117 0.80 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1ALDH1A1MEN1
SCHEMBL7344793 0.80 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1ALDH1A1MEN1
SCHEMBL11087924 0.79 EPHX2 (0.64) SIGMAR1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL6385132 0.79 EPHX2 (0.64) SIGMAR1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL28944413 0.79 EPHX2 (0.56) SIGMAR1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL14368746 0.79 EPHX2 (0.56) SIGMAR1EPHX2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7345768 0.78 MCOLN2 (0.63) SIGMAR1OPRM1OPRK1CHRNA7
Hydrochloric Acid SCHEMBL7345773 0.78 MCOLN2 (0.63) SIGMAR1OPRM1OPRK1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12263178-B2 Pharmaceutical compositions and methods POP TEST ONCOLOGY LLC (US) 2025-04-01 — — US disclosed
US-20230142627-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS POP TEST ONCOLOGY LLC (US) 2023-05-11 — — US disclosed
EP-0380063-B1 1,2-CYCLOHEXYLAMINOARYL AMIDES USEFUL AS ANALGESIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-07-21 — — EP 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-20230142627-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS NR3C2, NR3C1, MC2R SIGMAR1 2488/4885EPHX2 1674/4885OPRM1 1324/4885
US-12263178-B2 Pharmaceutical compositions and methods NR3C2, NR3C1, MC2R SIGMAR1 2488/4885EPHX2 1674/4885OPRM1 1324/4885

“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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