SCHEMBL7097550

SCHEMBL7097550

S=C1CCc2cnccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.56
CYP11B2 P19099 6/20 0.56
CYP1A2 P05177 3/20 0.56
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
HK1 P19367 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL18173665 0.77 NPC1 (0.50) CYP11B1CYP11B2CYP1A2CHRNB2CHRNA4
SCHEMBL3462883 0.77 CYP11B1 (0.56) CYP11B1CYP11B2CYP1A2MAPTNPC1
SCHEMBL1119425 0.73 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL13859962 0.73 CDK2 (0.40) CYP11B1CYP11B2CYP1A2CHRNB2CHRNA4
SCHEMBL88725 0.71 MEN1 (0.65) CYP11B1CYP11B2CYP1A2MAPTKDM4E
SCHEMBL29844361 0.71
SCHEMBL549069 0.71
SCHEMBL25463085 0.70 HTR5A (0.44) CYP11B1CYP11B2CYP1A2CHRNB2CHRNA4
SCHEMBL25463086 0.70 CHRNB2 (0.36) CYP11B1CYP11B2CYP1A2CHRNB2CHRNA4
SCHEMBL24982426 0.70 CHRNB2 (0.47) CYP11B1CYP11B2CYP1A2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307453-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-05-07 EP disclosed
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 US disclosed
WO-2002010164-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-02-07 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 (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-20020099070-A1 Dihydronaphthyridine potassium channel openers KCNH1, KCNN1, KCNJ2 CYP11B1 535/4885CYP11B2 717/4885CYP1A2 1843/4885

“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.