SCHEMBL19256437

SCHEMBL19256437

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
AGTR2 P50052 5/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL19256433 0.90 HTR2C (0.44) HTR2CNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL19256434 0.86 HTR2C (0.46) HTR2CNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL14209722 0.85 HTR2C (0.53) HTR2CNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL19256435 0.84 HTR2C (0.44) HTR2CNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL703547 0.83 SMN1; SMN2 (0.48) HTR2CNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL5765399 0.83 SMN1; SMN2 (0.48) HTR2CNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL21193204 0.82 HTR2C (0.45) HTR2CNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL28644186 0.81 AGTR2 (0.54) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL21192898 0.80 HTR2C (0.43) HTR2CNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL31421166 0.79 RIPK1 (0.44) HTR2CNPC1RAB9ASMN1; SMN2PDK1

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 10 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
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2021-07-15 US disclosed
US-10894789-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2021-01-19 US disclosed
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. 2019-05-09 US 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 (7 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-10894789-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885AGTR2 75/4885NPC1 1644/4885
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885AGTR2 75/4885NPC1 1644/4885
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885AGTR2 75/4885NPC1 1644/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885AGTR2 75/4885NPC1 1644/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885AGTR2 75/4885NPC1 1644/4885
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885AGTR2 75/4885NPC1 1644/4885
US-20150307458-A1 Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia HTR2C, DRD2, HTR2A HTR2C 1/4885AGTR2 574/4885NPC1 1545/4885

“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.