SCHEMBL3338599

SCHEMBL3338599

N#Cc1ccc(F)c(C#N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TRPV4 Q9HBA0 2/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL4592838 0.84 ALDH1A1 (0.42) CYP11B1CYP11B2TRPV4HTR2AHTR2C
SCHEMBL20964459 0.83 AR (0.41) ARCYP11B1CYP11B2TRPV4HTR2A
SCHEMBL7869818 0.83 CYP11B2 (0.41) ARCYP11B1CYP11B2TRPV4HTR2A
SCHEMBL1365376 0.82 AR (0.46) ARCYP11B1CYP11B2TRPV4HTR2A
SCHEMBL3333071 0.80 CYP11B2 (0.42) ARCYP11B1CYP11B2TRPV4HTR2A
SCHEMBL8119989 0.80 ALDH1A1 (0.39) CYP11B1CYP11B2TRPV4MEN1ALDH1A1
SCHEMBL10941730 0.79 TRPV4 (0.45) ARTRPV4HTR2AHTR2CHTR2B
SCHEMBL31038739 0.79 TRPV4 (0.45) ARTRPV4HTR2AHTR2CHTR2B
SCHEMBL15442788 0.79 TRPV4 (0.45) CYP11B1CYP11B2TRPV4ALDH1A1HPGD
SCHEMBL18637321 0.79 AR (0.36) ARCYP11B1CYP11B2TRPV4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 US disclosed
WO-2014146750-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-09-25 WO disclosed
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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 (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-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 AR 4588/4885CYP11B1 1641/4885CYP11B2 1484/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 AR 4588/4885CYP11B1 1641/4885CYP11B2 1484/4885
US-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 AR 1/4885CYP11B1 31/4885CYP11B2 44/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 AR 4588/4885CYP11B1 1641/4885CYP11B2 1484/4885

“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.