SCHEMBL1756774

SCHEMBL1756774

[c]1ncnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KCNN4 O15554 2/20 0.33
KCNA3 P22001 1/20 0.33
HSP90AA1 P07900 1/20 0.32
TSHR P16473 2/20 0.30
ALDH1A1 P00352 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
SCHEMBL1197948 0.69 CYP11B1 (0.37) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL1757361 0.68 CYP11B1 (0.40) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL1292257 0.64 CYP11B1 (0.44) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL8547430 0.61 CYP19A1 (0.45) CYP11B1CYP11B2KCNN4KCNA3HSP90AA1
SCHEMBL9602007 0.61 KCNN4 (0.38) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL1563373 0.61 HSP90AA1 (0.47) CYP11B1CYP11B2KCNN4KCNA3HSP90AA1
SCHEMBL8443367 0.60 CYP11B1 (0.40) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL2204870 0.60 CYP11B1 (0.48) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL8387760 0.60 CYP11B1 (0.36) CYP11B1CYP11B2KCNN4KCNA3HSP90AA1
SCHEMBL8390282 0.60 CYP11B1 (0.36) CYP11B1CYP11B2KCNN4KCNA3HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501892-B1 Diazotized heterocyclic derivatives N-substituted by a biphenylmethyl group, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1996-07-24 EP claimed
US-7973163-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-07-05 US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 US disclosed
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (4 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 CYP11B1 2549/4885CYP11B2 1082/4885KCNN4 383/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 CYP11B1 2549/4885CYP11B2 1082/4885KCNN4 383/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 CYP11B1 2518/4885CYP11B2 1084/4885KCNN4 384/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 CYP11B1 2542/4885CYP11B2 1084/4885KCNN4 351/4885

“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.