SCHEMBL1299208

SCHEMBL1299208

COc1cc[c]cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CYP2D6 P10635 2/20 0.34
LPAR1 Q92633 3/20 0.34
TSHR P16473 2/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
BLM P54132 2/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL16950980 0.83 POLB (0.35) POLBGAAGFERCA1CA2
SCHEMBL1081435 0.82 CA12 (0.31) CA1CA2CA7CA9CYP2D6
SCHEMBL6313678 0.81 HTR2A (0.35) CYP2D6TSHRACHEMEN1KMT2A
SCHEMBL29010942 0.76
SCHEMBL8674 0.75 CA2 (0.46) POLBCA1CA2CA7CA9
SCHEMBL698305 0.75 GABRA1 (0.33) CA1CA2TSHRCYP1A2CYP3A4
SCHEMBL28463114 0.74 ALDH1A1 (0.41) GAAALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL21268198 0.74 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4LMNATHRB
SCHEMBL1817807 0.74 KDM4E (0.40) ALDH1A1CYP1A2CYP3A4LMNAHPGD
SCHEMBL542567 0.73 NPSR1 (0.35) GAACA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-20110269775-A1 Piperazine derivatives M'S SCIENCE CORPORATION 2011-11-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
US-20110218205-A1 Piperazine derivatives M'S SCIENCE CORP. 2011-09-08 US disclosed
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US disclosed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
EP-1931347-A2 PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-06-18 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
EP-0726256-A1 1-Arylvinyl-3,4-dihydro-5H-2,3-benzodiazepine derivatives useful for the treatment of central nervous system disorders EGIS GYOGYSZERGYAR RT. (HU) 1996-08-14 EP disclosed
EP-0012452-B1 PHOSPHORIC ACID ESTERS AND THEIR USE IN PESTICIDAL COMPOSITIONS BAYER AG (DE) 1983-02-09 EP disclosed
EP-0000127-B1 INSECTICIDAL AND ACARICIDAL COMPOSITIONS, THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1982-10-20 EP disclosed
EP-0030661-A2 Insecticidal and acaricidal agents containing propargyl esters of thiono-phosphoric acids BAYER AG (DE) 1981-06-24 EP disclosed
US-4257987-A SYNERGISTIC ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed
EP-0025179-A1 Process for the preparation of methane-phosphonic acid esters containing propargyl groups BAYER AG (DE) 1981-03-18 EP disclosed
EP-0012452-A2 Phosphoric acid esters and their use in pesticidal compositions BAYER AG (DE) 1980-06-25 EP disclosed
US-4136100-A BLUE-VIOLET TO GREEN-BLUE DYEINGS ON CELLULOSE TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
EP-0000127-A1 Insecticidal and acaricidal compositions, their manufacture and their use BAYER AG (DE) 1979-01-10 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP POLB 573/4885GAA 374/4885GFER 1239/4885
US-20110269775-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRL1 POLB 2061/4885GAA 3242/4885GFER 2895/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H POLB 28/4885GAA 697/4885GFER 2588/4885
US-20090143395-A1 Piperazine Derivatives SIGMAR1, OPRK1, OPRL1 POLB 2061/4885GAA 3242/4885GFER 2895/4885
US-20110218205-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRM1 POLB 1972/4885GAA 2447/4885GFER 3128/4885

“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.