SCHEMBL2599515

SCHEMBL2599515

CC1COC(c2cccc(C(F)(F)F)c2)CN1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.59
DRD3 P35462 3/20 0.47
HTR2B P41595 3/20 0.47
CHRM2 P08172 1/20 0.47
DRD2 P14416 3/20 0.46
HTR2C P28335 4/20 0.45
HTR2A P28223 2/20 0.45
TEAD1 P28347 1/20 0.41
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL12186565 1.00 HTR1A (0.59) HTR1ADRD3HTR2BCHRM2DRD2
SCHEMBL15154651 1.00 HTR1A (0.59) HTR1ADRD3HTR2BCHRM2DRD2
SCHEMBL20262054 1.00 HTR1A (0.59) HTR1ADRD3HTR2BCHRM2DRD2
SCHEMBL12186569 1.00 HTR1A (0.59) HTR1ADRD3HTR2BCHRM2DRD2
SCHEMBL15154705 1.00 HTR1A (0.59) HTR1ADRD3HTR2BCHRM2DRD2
SCHEMBL12186572 1.00 HTR1A (0.59) HTR1ADRD3HTR2BCHRM2DRD2
SCHEMBL12186548 1.00 HTR1A (0.59) HTR1ADRD3HTR2BCHRM2DRD2
SCHEMBL12186562 0.82 DRD2 (0.54) HTR1ADRD3DRD2HTR2C
SCHEMBL20262052 0.82 DRD2 (0.54) HTR1ADRD3DRD2HTR2C
SCHEMBL15154759 0.82 DRD2 (0.54) HTR1ADRD3DRD2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 EP claimed
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US claimed
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
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 EP disclosed
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 HTR1A 13/4885DRD3 117/4885HTR2B 35/4885

“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.