SCHEMBL19256435

SCHEMBL19256435

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP2C19 P33261 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ACE2 Q9BYF1 2/20 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
SCHEMBL19256434 0.91 HTR2C (0.46) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL19256437 0.84 HTR2C (0.46) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL14209722 0.83 HTR2C (0.53) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL29560627 0.83 HTR2C (0.40) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL19256442 0.83 HTR2C (0.40) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL19256433 0.81 HTR2C (0.44) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL31420739 0.79 SMN1; SMN2 (0.43) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL1150632 0.79 OPRM1 (0.50) HTR2CSMN1; SMN2CYP2C19PSEN1PSEN2
SCHEMBL19256708 0.79 HCRTR1 (0.64)
SCHEMBL5765399 0.78 SMN1; SMN2 (0.48) HTR2CPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2024-09-10 US disclosed
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2022-12-01 US disclosed
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2022-09-06 US disclosed
EP-3414241-B1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-05-04 EP disclosed
CN-109219606-B Halogen substituted piperidines as orexin receptor modulators 阿斯利康(瑞典)有限公司 2021-10-01 CN disclosed
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 (4 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-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885PDK1 1002/4885PDK2 1915/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885PDK1 1002/4885PDK2 1915/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885PDK1 1002/4885PDK2 1915/4885
US-20150307458-A1 Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia HTR2C, DRD2, HTR2A HTR2C 1/4885PDK1 871/4885PDK2 421/4885

“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.