SCHEMBL5115315

SCHEMBL5115315

CN1c2ccccc2CN(C(=O)c2ccc(C3CCCCC3)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.42
AVPR2 P30518 3/20 0.42
SLC6A7 Q99884 1/20 0.42
HTR2B P41595 1/20 0.42
BRD4 O60885 1/20 0.41
FFAR2 O15552 1/20 0.40
HSD11B1 P28845 2/20 0.40
KCNN4 O15554 1/20 0.40
KCNA3 P22001 1/20 0.40
OXTR P30559 1/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
RAD52 P43351 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
SCHEMBL5118133 0.86 AVPR2 (0.47) AVPR1AAVPR2SLC6A7HTR2BBRD4
SCHEMBL4145691 0.81 AVPR1A (0.61) AVPR1AAVPR2OXTRKMT2ASMN1; SMN2
SCHEMBL5114252 0.80 HTT (0.50) SLC6A7HTR2BBRD4FFAR2HSD11B1
SCHEMBL5118219 0.78 AVPR1A (0.68) AVPR1AAVPR2
SCHEMBL5629020 0.77 AVPR1A (0.48) AVPR1AAVPR2SLC6A7HTR2BHSD11B1
SCHEMBL5119206 0.77 SLC6A7 (0.44) AVPR1AAVPR2SLC6A7HTR2BHSD11B1
SCHEMBL5626277 0.76 AVPR1A (0.48) AVPR1AAVPR2SLC6A7HTR2BFFAR2
SCHEMBL5628972 0.76 AVPR2 (0.48) AVPR1AAVPR2SLC6A7HTR2BHSD11B1
SCHEMBL5626377 0.75 AVPR1A (0.46) AVPR1AAVPR2SLC6A7HTR2BFFAR2
SCHEMBL5627472 0.75 AVPR1A (0.46) AVPR1AAVPR2SLC6A7HTR2BFFAR2

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
EP-1381608-B1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS WYETH CORP (US) 2007-10-10 EP claimed
US-7053083-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-05-30 US 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
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
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 6/4885AVPR2 2/4885SLC6A7 559/4885
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists AVPR2, AVPR1A, AVPR1B AVPR1A 2/4885AVPR2 1/4885SLC6A7 236/4885

“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.