SCHEMBL7189636

SCHEMBL7189636

COC(=O)c1ccc(C(c2ccccc2)N2CCCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.76
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ OPRM1 P35372 1/20 0.49
▸ OPRK1 P41145 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
Hydrochloric Acid SCHEMBL6790513 0.85 OPRD1 (0.97) OPRD1KMT2AMEN1OPRM1OPRK1
SCHEMBL6792134 0.80 OPRD1 (0.63) OPRD1KMT2AMEN1ALDH1A1KDM4E
Carbamic Acid SCHEMBL17460399 0.78 KMT2A (0.68) OPRD1KMT2AMEN1ALDH1A1LMNA
SCHEMBL5267415 0.78 CYP2D6 (0.68) OPRD1KMT2AMEN1ALDH1A1LMNA
SCHEMBL15166138 0.77 OPRD1 (0.60) OPRD1KMT2AMEN1ALDH1A1LMNA
SCHEMBL6791709 0.77 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL2433276 0.76 SLC6A2 (0.53) OPRD1KMT2AMEN1ALDH1A1LMNA
SCHEMBL6011755 0.76 OPRD1 (0.58) OPRD1ALDH1A1KDM4EMAPTSLC6A2
SCHEMBL22227819 0.76 SLC6A2 (0.56) OPRD1MAPTHPGDSLC6A2SLC6A4
SCHEMBL20832766 0.76 SLC6A2 (0.56) OPRD1MAPTHPGDSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583177-B2 Amidinophenol derivatives as leukotriene B4 (LTB4)antagonists, phospholipase A2 inhibitors, and trypsin inhibitors. ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 — — US disclosed
US-20020128315-A1 Leukotriene B4 antagonist compounds and method for treatment NAKAI HISAO (JP) 2002-09-12 — — US disclosed
US-6262114-B1 NOVEL AMIDINOPHENOL DERIVATIVES; INHIBITORS OF PHOSPHOLIPASE A2 AND/OR TRYPSIN ONO PHARMACEUTICAL CO., LTD. (JP) 2001-07-17 — — US disclosed
EP-0703216-B1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO (JP) 1999-04-07 — — EP disclosed
EP-0703216-A1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1996-03-27 — — 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 (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-20020128315-A1 Leukotriene B4 antagonist compounds and method for treatment LTB4R2, LTB4R, LTA4H OPRD1 2610/4885KMT2A 3478/4885MEN1 4125/4885

“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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