SCHEMBL1648703

SCHEMBL1648703

CC(C)(C)OC(=O)N1CCCc2ccc(O)cc2C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.76
NR1H2 P55055 1/20 0.63
ESR1 P03372 4/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.47
RIPK1 Q13546 2/20 0.47
ABHD6 Q9BV23 1/20 0.46
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HDAC1 Q13547 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
DRD1 P21728 2/20 0.44
DRD5 P21918 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL29598893 1.00 ESR2 (0.76) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL3702146 0.95 ESR2 (0.85) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL29372093 0.92 ESR2 (0.90) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL545619 0.92 ESR2 (0.90) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL29590844 0.86 ESR2 (1.00) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL450677 0.86 ESR2 (1.00) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL1168098 0.86 ESR2 (0.79) ESR2NR1H2ESR1MAPK1ABHD6
SCHEMBL24265586 0.86 NR1H2 (0.62) ESR2NR1H2NPC1RAB9AMAPK1
SCHEMBL1649493 0.86 NR1H2 (0.62) ESR2NR1H2NPC1RAB9AMAPK1
SCHEMBL29574152 0.86 NR1H2 (0.62) ESR2NR1H2NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 US disclosed
EP-3728248-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-02-02 EP disclosed
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-17 US disclosed
US-20110172416-A1 AMIDINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2011-07-14 US disclosed
EP-2311810-A1 AMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2011-04-20 EP disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 US disclosed
US-20030158177-A1 Treating or preventing obesity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed
EP-1283199-A1 MELANIN-CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 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 (5 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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA ESR2 3924/4885NR1H2 1964/4885ESR1 4483/4885
US-20040006099-A1 Amidine compounds F2, SERPINC1, F12 ESR2 3064/4885NR1H2 507/4885ESR1 3745/4885
US-20030158177-A1 Treating or preventing obesity MCHR1, MC1R, NPY1R ESR2 797/4885NR1H2 234/4885ESR1 1689/4885
US-20110172416-A1 AMIDINE DERIVATIVE SERPINC1, F12, F11 ESR2 4507/4885NR1H2 2374/4885ESR1 4690/4885
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA ESR2 3924/4885NR1H2 1964/4885ESR1 4483/4885

“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.