SCHEMBL6153867

SCHEMBL6153867

[O-][S@@+]1Cc2ccccc2C12CCNCC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 2/20 0.37
OPRM1 P35372 2/20 0.36
KDM1A O60341 3/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
BACE1 P56817 1/20 0.32
MAOB P27338 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
SCHEMBL761583 1.00 HTR2A (0.41) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL7627479 1.00 HTR2A (0.41) HTR2AHTR2CDRD2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7498632 0.98 HTR2A (0.40) HTR2AHTR2CDRD2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6196871 0.98 HTR2A (0.40) HTR2AHTR2CDRD2SLC6A2SLC6A4
Mandelic Acid SCHEMBL7684755 0.83 LMNA (0.43) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL24137889 0.78 SIGMAR1 (0.40) HTR2AHTR2CDRD2SIGMAR1OPRM1
SCHEMBL6153394 0.72 RBP4 (0.38)
SCHEMBL4867850 0.72 RBP4 (0.38)
SCHEMBL6153626 0.68 ESR1 (0.36) KDM1ATSHR
SCHEMBL44425 0.67 HTR2A (0.55) HTR2AHTR2CDRD2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209262-A1 Process for producing optically active sulfoxide SANKYO COMPANY, LIMITED (JP) 2005-09-22 US disclosed
EP-1557420-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE Sankyo Company, Limited (JP) 2005-07-27 EP disclosed
EP-0987269-B1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE SANKYO CO (JP) 2003-08-13 EP disclosed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
EP-0776893-B1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO CO (JP) 2002-02-27 EP disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
EP-0987269-A1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Sankyo Company Limited (JP) 2000-03-22 EP disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 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-20050209262-A1 Process for producing optically active sulfoxide TST, TMT1A, PPOX HTR2A 4624/4885HTR2C 4720/4885DRD2 2053/4885

“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.