SCHEMBL5754557

SCHEMBL5754557

ICCOC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
NAAA Q02083 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
HPGD P15428 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6926390 0.97
SCHEMBL17873709 0.86
SCHEMBL8945486 0.85 NPC1 (0.48) NPC1NAAA
SCHEMBL10357183 0.83 NPC1 (0.61) NPC1NAAACA1CA2HPGD
SCHEMBL6377426 0.83 NPC1 (0.61) NPC1NAAACA1CA2HPGD
SCHEMBL6383859 0.83 NPC1 (0.61) NPC1NAAACA1CA2HPGD
SCHEMBL6376493 0.83 NPC1 (0.61) NPC1NAAACA1CA2HPGD
SCHEMBL6379525 0.83 NPC1 (0.61) NPC1NAAACA1CA2HPGD
SCHEMBL546444 0.80 NPC1 (0.56) NPC1NAAACA1CA2HPGD
SCHEMBL10049786 0.80 NPC1 (0.35) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP disclosed
US-7049444-B2 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. (US) 2006-05-23 US disclosed
CN-1192021-C 3-azabicyclo [3.1.0] hexane derivatives as opioid receptor ligands PFIZER LTD (US) 2005-03-09 CN disclosed
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US disclosed
CN-1331679-A 3-azabicyclo [3.1.0] hexane derivatives as opiate receptors ligands PFIZER LTD (US) 2002-01-16 CN disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 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 (3 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 NPC1 1282/4885NAAA 2618/4885CA1 2388/4885
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 NPC1 1239/4885NAAA 2289/4885CA1 4859/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 NPC1 1282/4885NAAA 2618/4885CA1 2388/4885

“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.