SCHEMBL5189239

SCHEMBL5189239

N#Cc1ccc(O)[c]c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
UPP1 Q16831 1/20 0.35
AR P10275 6/20 0.33
ESR2 Q92731 2/20 0.31
PGR P06401 1/20 0.30
ESR1 P03372 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL1387709 0.77 TRPV4 (0.39) TRPV4ARPGR
SCHEMBL29212775 0.69 KDM4E (0.38) TRPV4ARPGR
SCHEMBL6651902 0.65 TRPV4 (0.48) TRPV4UPP1AR
SCHEMBL7959821 0.65 UPP1 (0.46) TRPV4UPP1ARESR2CA12
SCHEMBL29416744 0.64 ESR1 (0.44) TRPV4UPP1ARESR2PGR
SCHEMBL14920227 0.64 TRPV4 (0.43) TRPV4UPP1ARESR2ESR1
SCHEMBL17110582 0.64 TRPV4 (0.45) TRPV4ARPGR
SCHEMBL1128771 0.64 ESR1 (0.44) TRPV4UPP1ARESR2PGR
SCHEMBL349000 0.62
SCHEMBL176946 0.62 TRPV4 (0.57) TRPV4ARESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1195166-B1 Use of a vasopressin antagonist such as conivaptan in the manufacture of a medicament for treating pulmonary hypertension ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-6740648-B2 USING A VASOPRESSIN ANTAGONIST SUCH AS CONIVAPTAN WARNER-LAMBERT COMPANY 2004-05-25 US disclosed
US-20020128259-A1 Treatment of pulmonary hypertension ASTELLAS IRELAND CO., LTD. (IE) 2002-09-12 US disclosed
EP-1195166-A2 Use of a vasopressin antagonist such as conivaptan in the manufacture of a medicament for treating pulmonary hypertension WARNER-LAMBERT COMPANY (US) 2002-04-10 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-20020128259-A1 Treatment of pulmonary hypertension AVPR2, AVPR1B, NPPA TRPV4 1612/4885UPP1 1516/4885AR 4670/4885

“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.