SCHEMBL6585734

SCHEMBL6585734

OCC(O)Cc1nccn1CCCc1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.40
HSP90AA1 P07900 1/20 0.39
OPRK1 P41145 2/20 0.37
GAA P10253 1/20 0.37
OPRM1 P35372 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MGLL Q99685 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CALM1 P0DP23 1/20 0.34

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
SCHEMBL6583968 0.85 CYP4F2 (0.48) MGLLCYP4F2CYP4A11
SCHEMBL6582842 0.84 HTR7 (0.44) HTR7HSP90AA1OPRK1GAAOPRM1
SCHEMBL6580542 0.82 GAA (0.36) GAA
SCHEMBL6582625 0.77 LTA4H (0.49) MGLL
SCHEMBL7791226 0.70 ENPP2 (0.50) OPRK1OPRM1DRD2DRD1TAAR1
SCHEMBL6580709 0.69 CYP4F2 (0.60) HSP90AA1MGLLCYP4F2CYP4A11
SCHEMBL6582301 0.68 CA2 (0.46) HSP90AA1
SCHEMBL6030671 0.66 HSP90AA1 (0.44) HSP90AA1MGLL
SCHEMBL6976399 0.66 CALM1 (0.37) OPRK1GAAOPRM1DRD2DRD1
SCHEMBL5761382 0.65 CYP19A1 (0.56)

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-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
US-6716863-B2 TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US disclosed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1268473-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US disclosed
WO-2001077107-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-18 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 (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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 HTR7 1345/4885HSP90AA1 1048/4885OPRK1 968/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 HTR7 1518/4885HSP90AA1 1136/4885OPRK1 913/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 HTR7 490/4885HSP90AA1 591/4885OPRK1 1886/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 HTR7 4244/4885HSP90AA1 690/4885OPRK1 2819/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 HTR7 1359/4885HSP90AA1 372/4885OPRK1 2901/4885

“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.