SCHEMBL19256442

SCHEMBL19256442

C[C@@H]1CC(F)(F)CN(C(=O)OCc2ccccc2)[C@@H]1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
CTRB1 P17538 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL29560627 1.00 HTR2C (0.40) HTR2CCTRB1CYP3A4CYP2D6CYP2C9
SCHEMBL19256434 0.85 HTR2C (0.46) HTR2CRAB9APSEN1PSEN2APH1B
SCHEMBL19207177 0.85 HCRTR1 (0.39)
SCHEMBL19256435 0.83 HTR2C (0.44) HTR2CCYP2C19RAB9APSEN1PSEN2
SCHEMBL16282508 0.81 PREP (0.48)
SCHEMBL19256437 0.79 HTR2C (0.46) HTR2CRAB9APSEN1PSEN2APH1B
SCHEMBL14209722 0.78 HTR2C (0.53) HTR2CCYP2C19RAB9APSEN1PSEN2
SCHEMBL21192860 0.76 PDK1 (0.41) HTR2CCTRB1PSEN1PSEN2APH1B
SCHEMBL30027238 0.76 PDK1 (0.41) HTR2CCTRB1PSEN1PSEN2APH1B
SCHEMBL19256433 0.76 HTR2C (0.44) HTR2CCYP3A4CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017139603-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2017-08-17 WO disclosed
US-20150307458-A1 Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia H. LUNDBECK A/S (DK) 2015-10-29 US 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-20150307458-A1 Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia HTR2C, DRD2, HTR2A HTR2C 1/4885CTRB1 3441/4885CYP3A4 1321/4885

“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.