SCHEMBL20168445

SCHEMBL20168445

N#Cc1ccc(-c2ccc(CN)cc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 0.54
CYP11B1 P15538 14/20 0.54
TAAR1 Q96RJ0 1/20 0.51
TRPV4 Q9HBA0 1/20 0.50
NSD2 O96028 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL30751861 1.00 CYP11B2 (0.54) CYP11B2CYP11B1TAAR1TRPV4NSD2
SCHEMBL3158141 0.85 TRPV4 (0.57) CYP11B2CYP11B1TRPV4NSD2LOXL2
SCHEMBL9612021 0.85 CYP11B2 (0.68) CYP11B2CYP11B1TRPV4
Hydrochloric Acid SCHEMBL6778748 0.84 TRPV4 (0.55) CYP11B2CYP11B1TRPV4NSD2LOXL2
Hydrochloric Acid SCHEMBL21798388 0.84 TRPV4 (0.55) CYP11B2CYP11B1TRPV4NSD2LOXL2
SCHEMBL18297999 0.83 CYP11B2 (0.67) CYP11B2CYP11B1TRPV4
SCHEMBL19187744 0.83 CYP11B1 (0.54) CYP11B2CYP11B1TRPV4
SCHEMBL21266065 0.81 CYP11B2 (0.51) CYP11B2CYP11B1TAAR1
SCHEMBL30751827 0.81 CYP11B2 (0.51) CYP11B2CYP11B1TAAR1
SCHEMBL20168408 0.81 CYP11B2 (0.50) CYP11B2CYP11B1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3535258-B1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
EP-3535258-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-11 EP disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 CYP11B2 306/4885CYP11B1 143/4885TAAR1 874/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 CYP11B2 306/4885CYP11B1 143/4885TAAR1 874/4885

“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.