SCHEMBL5115345

SCHEMBL5115345

O=C(c1ccc(C2CCCCC2)cc1)N1CCCCc2sccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.53
AVPR1B P47901 5/20 0.53
AVPR2 P30518 10/20 0.51
SLC6A7 Q99884 1/20 0.43
OXTR P30559 5/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6985203 0.81 AVPR1A (0.61) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL4146200 0.79 AVPR1A (0.68) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6989910 0.78 AVPR1A (0.46) AVPR1AAVPR1BAVPR2SMN1; SMN2
SCHEMBL6991806 0.77 AVPR1A (0.47) AVPR1AAVPR1BAVPR2SMN1; SMN2
SCHEMBL5235720 0.77 AVPR1A (0.53) AVPR1AAVPR1BAVPR2SMN1; SMN2
SCHEMBL7093443 0.73 ALDH1A1 (0.58) AVPR1AAVPR1BAVPR2OXTRSMN1; SMN2
SCHEMBL19217285 0.72 HPGD (0.69) SLC6A7
SCHEMBL6203310 0.72 AVPR1A (0.60) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6990010 0.72 AVPR1A (0.59) AVPR1AAVPR1BAVPR2
SCHEMBL6988048 0.71 NAAA (0.55) AVPR1AAVPR1BAVPR2SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-08-17 US 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
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
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 AVPR1A 6/4885AVPR1B 5/4885AVPR2 2/4885
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists AVPR2, AVPR1A, AVPR1B AVPR1A 2/4885AVPR1B 3/4885AVPR2 1/4885

“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.