SCHEMBL16745441

SCHEMBL16745441

CN1C[C@@H]2Cc3cccc(F)c3OC23Oc2c(F)cccc2C[C@H]3C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
OPRM1 P35372 1/20 0.32
TERT O14746 1/20 0.30
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL16745377 0.83 DRD2 (0.37) DRD2HTR2AHTR2CTRPM8
SCHEMBL16745323 0.80 DRD2 (0.35) DRD2HTR2AHTR2C
SCHEMBL16745333 0.80 DRD2 (0.35) DRD2HTR2AHTR2C
SCHEMBL16745392 0.80 DRD2 (0.34) DRD2HTR2AHTR2CTRPM8
SCHEMBL17070584 0.80 DRD2 (0.35) DRD2HTR2AHTR2C
SCHEMBL16745383 0.80 DRD2 (0.35) DRD2HTR2AHTR2C
SCHEMBL16745442 0.79 DRD2 (0.31) DRD2HTR2AHTR2C
SCHEMBL16745240 0.76 DRD1 (0.41)
SCHEMBL17070571 0.74 DRD1 (0.37) SLC6A2SLC6A3
SCHEMBL22474552 0.74 PRKAB2 (0.34) DRD2SLC6A2SLC6A4SLC6A3TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527862-B2 Compounds of chiral aromatic spiroketal diphosphine ligands, preparation methods and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-12-27 US disclosed
US-9527862-B2 Compounds of chiral aromatic spiroketal diphosphine ligands, preparation methods and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-12-27 US disclosed
US-20150252055-A1 COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-10 US disclosed
US-20150252055-A1 COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-10 US disclosed
EP-2876108-A1 COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2015-05-27 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 (1 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-20150252055-A1 COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF DDT, DPYD, RECQL DRD2 677/4885HTR2A 3551/4885HTR2C 3415/4885

“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.