SCHEMBL17407562

SCHEMBL17407562

O=C(Nc1ccccc1)OCC1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.70
▸ BCHE P06276 8/20 0.65
▸ ACHE P22303 4/20 0.65
▸ MAOB P27338 3/20 0.65
▸ MGLL Q99685 2/20 0.63
▸ TSHR P16473 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ EPHX2 P34913 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ EPHX1 P07099 1/20 0.57
▸ KLK7 P49862 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL17346623 0.92 PTGIR (0.81) PTGIRBCHEACHEMAOBMGLL
SCHEMBL17344408 0.89 MGLL (0.73) PTGIRBCHEACHEMAOBMGLL
SCHEMBL6516122 0.86 PTGIR (0.72) PTGIRBCHEACHEMAOBMGLL
SCHEMBL6516120 0.86 PTGIR (0.72) PTGIRBCHEACHEMAOBMGLL
SCHEMBL17342576 0.85 MGLL (0.54) PTGIRBCHEACHEMAOBMGLL
SCHEMBL1118700 0.82 PTGIR (1.00) PTGIRBCHEACHEMAOBTSHR
SCHEMBL1118698 0.82 PTGIR (1.00) PTGIRBCHEACHEMAOBTSHR
SCHEMBL4966292 0.82 NPC1 (0.64) PTGIRMGLLTSHRNPC1ALDH1A1
SCHEMBL10192097 0.81 MGLL (0.63) PTGIRBCHEACHEMAOBMGLL
SCHEMBL4964970 0.81 MGLL (0.63) PTGIRBCHEACHEMAOBMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3884934-B1 PHARMACEUTICAL COMPOSITION COMPRISING: 2-(((1R,4R)-4-(((4-CHLOROPHENYL)(PHENYL)CARBAMOYLOXY)METHYL)CYCLOHEXYL)METHOXY)ACETIC ACID ARENA PHARM INC (US) 2023-12-13 — — EP disclosed
EP-2857015-B1 Modulators of the prostacyclin (PG12) receptor useful for the treatment of disorders related thereto ARENA PHARM INC (US) 2021-05-05 — — EP disclosed
US-9611279-B2 Zinc complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-04-04 — — US disclosed
US-9611279-B2 Zinc complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-04-04 — — US disclosed
US-20160002268-A1 ZINC COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-07 — — US disclosed
US-20160002268-A1 ZINC COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-07 — — 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-20160002268-A1 ZINC COMPLEX SLC39A11, SLC39A3, SOD1 PTGIR 4562/4885BCHE 4314/4885ACHE 3260/4885

“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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