SCHEMBL22587763

SCHEMBL22587763

O=C(Cc1ccc2[nH]ccc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.63
▸ CALCRL Q16602 2/20 0.63
▸ OPRK1 P41145 2/20 0.53
▸ HSD11B1 P28845 3/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ CHRM4 P08173 1/20 0.51
▸ CHRM5 P08912 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ OPRM1 P35372 5/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ OPRL1 P41146 1/20 0.50
▸ TNKS O95271 1/20 0.50
▸ PARP1 P09874 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ CCR3 P51677 1/20 0.49

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
SCHEMBL29518278 1.00 CYP3A4 (0.63) CYP3A4CALCRLOPRK1HSD11B1CHRM2
SCHEMBL31285930 0.88 CYP3A4 (0.61) CYP3A4CALCRLOPRK1HSD11B1CHRM2
SCHEMBL22587788 0.88 CYP3A4 (0.61) CYP3A4CALCRLOPRK1HSD11B1CHRM2
SCHEMBL22588021 0.83 OPRK1 (0.67) CYP3A4CALCRLOPRK1HSD11B1CHRM2
SCHEMBL3458844 0.83 HSD11B1 (0.70) CYP3A4CALCRLHSD11B1CHRM1
SCHEMBL24368354 0.83 CYP3A4 (0.48) CYP3A4CALCRLOPRK1HSD11B1CHRM1
SCHEMBL29518512 0.83 CYP3A4 (0.48) CYP3A4CALCRLOPRK1HSD11B1CHRM1
SCHEMBL22588004 0.83 CALCRL (0.59) CYP3A4CALCRLOPRK1HSD11B1CHRM2
SCHEMBL22605829 0.82 HSD11B1 (0.63) CYP3A4CALCRLOPRK1HSD11B1CHRM2
SCHEMBL22605698 0.82 PLD2 (0.62) CYP3A4CALCRLOPRK1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (GB) 2024-11-28 — — US disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 — — EP disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 — — EP disclosed
CN-116457347-A Compound containing condensed rings, application thereof and composition containing compound 健艾仕生物医药有限公司 2023-07-18 — — CN disclosed
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — US disclosed
CN-114478482-A Compound containing condensed ring, application thereof and composition containing compound 健艾仕生物医药有限公司 2022-05-13 — — CN disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 — — WO disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 — — WO disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 CYP3A4 1681/4885CALCRL 3149/4885OPRK1 4312/4885
US-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 CYP3A4 2644/4885CALCRL 3487/4885OPRK1 4491/4885

“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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