SCHEMBL5111295

SCHEMBL5111295

O=C(c1ccc(C2CCCCC2)cc1)N1Cc2cccnc2Nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.68

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
SCHEMBL5114252 0.86 HTT (0.50) IDH1
SCHEMBL4150867 0.83 IDH1 (0.62) IDH1
SCHEMBL19741925 0.81 IDH1 (1.00) IDH1
SCHEMBL22184435 0.81 IDH1 (1.00) IDH1
SCHEMBL5118133 0.79 AVPR2 (0.47) IDH1
SCHEMBL27486147 0.78 IDH1 (0.73) IDH1
SCHEMBL7217742 0.77 IDH1 (0.57) IDH1
SCHEMBL5119206 0.77 SLC6A7 (0.44) IDH1
SCHEMBL17803042 0.76 IDH1 (1.00) IDH1
SCHEMBL17814406 0.76 IDH1 (1.00) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381608-B1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS WYETH CORP (US) 2007-10-10 EP claimed
CN-1294134-C Cyclohexylphenyl vasopressin agonists WYETH CORP (US) 2007-01-10 CN claimed
US-7053083-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-05-30 US claimed
CN-1514834-A Cyclohexylphenyl vasopression agonists 2004-07-21 CN claimed
EP-1381608-A1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS Wyeth (US) 2004-01-21 EP claimed
US-20020198191-A1 Medicine for inducing temporary delay of urination or treatment of disorders of diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, or bleeding and coagulation disorders WYETH (US) 2002-12-26 US claimed
WO-2002083685-A1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS WYETH (US) 2002-10-24 WO claimed
US-7329653-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2008-02-12 US disclosed
EP-1381608-B1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS WYETH CORP (US) 2007-10-10 EP disclosed
CN-1294134-C Cyclohexylphenyl vasopressin agonists WYETH CORP (US) 2007-01-10 CN disclosed
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-08-17 US disclosed
US-7053083-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-05-30 US disclosed
CN-1514834-A Cyclohexylphenyl vasopression agonists 2004-07-21 CN disclosed
EP-1381608-A1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS Wyeth (US) 2004-01-21 EP disclosed
US-20020198191-A1 Medicine for inducing temporary delay of urination or treatment of disorders of diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, or bleeding and coagulation disorders WYETH (US) 2002-12-26 US disclosed
WO-2002083685-A1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS WYETH (US) 2002-10-24 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-20020198191-A1 Medicine for inducing temporary delay of urination or treatment of disorders of diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, or bleeding and coagulation disorders F2, AVPR2, SHBG IDH1 754/4885
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists AVPR2, AVPR1A, AVPR1B IDH1 2445/4885

“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.