SCHEMBL138085

SCHEMBL138085

N#CCc1cc(Br)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.49
DPP4 P27487 1/20 0.37
PYCR1 P32322 1/20 0.36
CYP2A6 P11509 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
DGAT1 O75907 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
POLB P06746 1/20 0.32
MAOB P27338 1/20 0.32
GAA P10253 1/20 0.32
CNR1 P21554 1/20 0.31
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL29483986 1.00 CSNK2A1 (0.49) CSNK2A1DPP4PYCR1CYP2A6BRD4
SCHEMBL5825 0.84 CSNK2A1 (0.49) CSNK2A1PYCR1DGAT1CNR1KDM1A
SCHEMBL29609415 0.84 CSNK2A1 (0.49) CSNK2A1PYCR1DGAT1CNR1KDM1A
SCHEMBL18600051 0.81 CHEK1 (0.42) CSNK2A1DPP4PYCR1BRD4BRD2
SCHEMBL1020440 0.79 PSEN1 (0.40) DPP4CYP2A6ESR1ESR2ALDH1A1
SCHEMBL29618975 0.79 PSEN1 (0.40) DPP4CYP2A6ESR1ESR2ALDH1A1
SCHEMBL28856582 0.79 CSNK2A1 (0.51) CSNK2A1PYCR1CYP2A6ESR1ESR2
SCHEMBL138081 0.79 DPP4 (0.41) DPP4PYCR1CYP2A6BRD4BRD2
SCHEMBL2794279 0.78 MPO (0.43) CSNK2A1DPP4PYCR1BRD4BRD2
SCHEMBL8736491 0.78 CSNK2A1 (0.44) CSNK2A1PYCR1DGAT1GAACNR1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715633-B Dopamine-beta-hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2022-03-04 CN disclosed
US-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2022-01-20 US disclosed
US-11034695-B2 Dopamine-β-hydroxylase inhibitors BIAL—Portela & Cᵃ, S.A. (PT) 2021-06-15 US disclosed
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US disclosed
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2020-06-11 US disclosed
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2019-11-07 US disclosed
EP-3515917-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-07-31 EP disclosed
EP-3515433-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-07-31 EP disclosed
WO-2018056855-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO disclosed
WO-2018056855-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO disclosed
US-20030045511-A1 Combination regimens using progesterone receptor modulators WYETH 2003-03-06 US disclosed
US-6509334-B1 This invention relates to compounds that antagonists of the progesterone receptor, their preparation and utility. Intracellular receptors (IR) form a class of structurally related gene regulators known as \"ligand dependent AMERICAN HOME PRODUCTS CORPORATION 2003-01-21 US disclosed
US-6444668-B1 IN COMBINATION WITH A PROGESTIN, AN ESTROGEN, OR BOTH; ANTIPROGESTIN IS A 1,4-DIHYDRO-BENZO(D)(1.3)OXAZIN-2-ONE WYETH 2002-09-03 US disclosed
CN-1349415-A Contraceptive compositions contaiing antiprogesting and progestinic AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
CN-1349517-A Cyclocarbamate derivatives as progesterone receptor modulators AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2002-04-25 US disclosed
EP-1173426-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066571-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066164-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (7 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-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 CSNK2A1 3346/4885DPP4 685/4885PYCR1 1444/4885
US-20030045511-A1 Combination regimens using progesterone receptor modulators GNRHR, PGR, PRLHR CSNK2A1 1173/4885DPP4 4118/4885PYCR1 932/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 CSNK2A1 3633/4885DPP4 820/4885PYCR1 1619/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 CSNK2A1 3352/4885DPP4 680/4885PYCR1 1488/4885
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, SLC6A3 CSNK2A1 2240/4885DPP4 1161/4885PYCR1 952/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 CSNK2A1 523/4885DPP4 3923/4885PYCR1 1262/4885
US-11034695-B2 Dopamine-β-hydroxylase inhibitors DBH, SLC6A3, COMT CSNK2A1 1878/4885DPP4 877/4885PYCR1 839/4885

“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.