SCHEMBL19256433

SCHEMBL19256433

COC(=O)[C@@H]1[C@H](C)CC(F)(F)CN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
HTT P42858 2/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
FKBP1A P62942 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 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
SCHEMBL19256437 0.90 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL8298601 0.85 MITF (0.48) HTR2CHTTMITFMAPTSMN1; SMN2
SCHEMBL8279227 0.85 MITF (0.48) HTR2CHTTMITFMAPTSMN1; SMN2
SCHEMBL19256434 0.83 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL14209722 0.82 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL19256435 0.81 HTR2C (0.44) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL116516 0.80 NPC1 (0.51) HTR2CHTTSMN1; SMN2NPC1RAB9A
SCHEMBL30591386 0.80 NPC1 (0.51) HTR2CHTTSMN1; SMN2NPC1RAB9A
SCHEMBL883433 0.80 NPC1 (0.51) HTR2CHTTSMN1; SMN2NPC1RAB9A
SCHEMBL19083887 0.80 NPC1 (0.51) HTR2CHTTSMN1; SMN2NPC1RAB9A

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
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
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 32/4885HTT 637/4885MITF 818/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885HTT 637/4885MITF 818/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HTR2C 32/4885HTT 637/4885MITF 818/4885
US-20150307458-A1 Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia HTR2C, DRD2, HTR2A HTR2C 1/4885HTT 797/4885MITF 4203/4885

“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.