SCHEMBL11087883

SCHEMBL11087883

COc1ccc2c(c1)CC(C)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTR2C P28335 2/20 0.43
ACHE P22303 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
EGFR P00533 1/20 0.42
PDGFRA P16234 1/20 0.42
KDR P35968 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SNCA P37840 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL13799420 0.87 ACHE (0.47) PDE3BPDE3AHTR2CACHEDRD2
SCHEMBL4138659 0.83 DRD2 (0.47) PDE3BPDE3AHTR2CDRD2DRD3
SCHEMBL11354051 0.81 CHRNB2 (0.45) LMNAGAAMAPTALDH1A1CHRNB2
SCHEMBL8258749 0.81 PDE3B (0.44) PDE3BPDE3AGAAHTR2CACHE
SCHEMBL24347621 0.78 DRD2 (0.40) PDE3BPDE3AHTR2CACHEDRD2
SCHEMBL7297572 0.77 PDE3B (0.41) PDE3BPDE3ADRD2DRD3EGFR
SCHEMBL8399480 0.77 PDE3B (0.44) PDE3BPDE3AHTR2CACHEDRD2
SCHEMBL7297564 0.77 PDE3B (0.41) PDE3BPDE3ADRD2DRD3EGFR
SCHEMBL29052203 0.76 DRD2 (0.51) HTR2CACHEDRD2DRD3CHRNB2
SCHEMBL7422905 0.76 HTR2C (0.48) PDE3BPDE3AHTR2CACHEDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127345-A1 NEGATIVE PHOTOCHROMIC MATERIALS WITH TUNABLE PROPERTIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-02 US claimed
WO-2017189700-A1 NEGATIVE PHOTOCHROMIC MATERIALS WITH TUNABLE PROPERTIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-02 WO claimed
CN-110437123-B Method for synthesizing optically pure 2-substituted indoline compound through dynamic kinetic resolution 华中师范大学 2023-01-03 CN disclosed
EP-3106453-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX TAKASAGO PERFUMERY CO LTD (JP) 2020-04-08 EP disclosed
US-20190127345-A1 NEGATIVE PHOTOCHROMIC MATERIALS WITH TUNABLE PROPERTIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-02 US disclosed
WO-2017189700-A1 NEGATIVE PHOTOCHROMIC MATERIALS WITH TUNABLE PROPERTIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-02 WO disclosed
US-9745229-B2 Method for producing optically active compound, and novel metal-diamine complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-08-29 US disclosed
EP-3106453-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX Takasago International Corporation (JP) 2016-12-21 EP disclosed
US-20160347678-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-12-01 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
EP-0113921-A2 Process for the manufacture of stable solutions of cationic methine dyes BAYER AG (DE) 1984-07-25 EP disclosed
EP-0002721-B1 PROCESS FOR PREPARING HYDRAZINES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0002721-A2 Process for preparing hydrazines BAYER AG (DE) 1979-07-11 EP disclosed
US-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed
US-4017484-A Cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-04-12 US 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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 PDE3B 576/4885PDE3A 400/4885LMNA 4092/4885
US-20160347678-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX AOC1, ODC1, C5 PDE3B 588/4885PDE3A 750/4885LMNA 3373/4885
US-20190127345-A1 NEGATIVE PHOTOCHROMIC MATERIALS WITH TUNABLE PROPERTIES ALKBH2, YTHDF2, ANXA2 PDE3B 2944/4885PDE3A 2354/4885LMNA 1426/4885
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PDE3B 777/4885PDE3A 1246/4885LMNA 925/4885

“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.