SCHEMBL2599486

SCHEMBL2599486

c1ccc2c(C3CNCCO3)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
HTR2A P28223 1/20 0.49
DRD3 P35462 1/20 0.48
SSTR4 P31391 2/20 0.47
HTR1A P08908 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MTNR1A P48039 1/20 0.42
KDM1A O60341 1/20 0.41
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
Hydrochloric Acid SCHEMBL2599503 0.98 DRD2 (0.48) DRD2HTR2ADRD3SSTR4HTR1A
SCHEMBL27915442 0.86 DRD2 (0.48) DRD2HTR2ADRD3SSTR4HTR1A
SCHEMBL28106582 0.82 DRD2 (0.43) DRD2HTR2ADRD3SSTR4HTR1A
SCHEMBL2321092 0.79 SLC6A4 (0.54) DRD2SLC6A2SLC6A4SLC6A3MTNR1A
SCHEMBL9703831 0.77 DRD2 (0.46) DRD2HTR2ADRD3HTR1A
SCHEMBL10746746 0.77 HTR2C (0.47) DRD2HTR2ADRD3HTR1ASLC6A2
SCHEMBL1639063 0.77 DRD2 (0.46) DRD2HTR2ADRD3HTR1ASLC6A2
SCHEMBL30752424 0.77 DRD2 (0.46) DRD2HTR2ADRD3HTR1ASLC6A2
SCHEMBL2787499 0.77 HTR1A (0.47) DRD2HTR2ADRD3HTR1AKCNH2
SCHEMBL7963983 0.77 DRD2 (0.46) DRD2HTR2ADRD3HTR1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP claimed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 WO claimed
US-9617229-B2 Phenylmorpholines and analogues thereof RESEARCH TRIANGLE INSTITUTE (US) 2017-04-11 US disclosed
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US disclosed
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP disclosed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 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 (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-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF PNMT, OPRL1, OPRM1 DRD2 61/4885HTR2A 33/4885DRD3 117/4885

“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.