SCHEMBL18196005

SCHEMBL18196005

CC(C)(C)c1c(F)cccc1-c1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 6/20 0.33
▸ HCRTR2 O43614 6/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ADORA2A P29274 2/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CYP1A2 P05177 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL27269490 0.82 TRPV1 (0.40) HCRTR1HCRTR2TRPV1KDM4ETDP1
SCHEMBL27269487 0.81 KDM4E (0.42) HCRTR1HCRTR2KDM4ENPC1BRD4
SCHEMBL19229863 0.79 CYP1A2 (0.38) TRPV1NPC1BRD4CYP1A2CYP3A4
SCHEMBL28439751 0.79 CA2 (0.39) KDM4EBRD4TRPA1CYP1A2CYP3A4
SCHEMBL79047 0.75 ACHE (0.39) HDAC6
SCHEMBL14886178 0.75 HCRTR1 (0.38) HCRTR1HCRTR2KDM4ENPC1
SCHEMBL6270187 0.74 CCNE2 (0.41) HCRTR1HCRTR2KDM4ENPC1ADORA2A
SCHEMBL18195996 0.74 PDK2 (0.47) KDM4ENPC1MAPK1HSD17B10
SCHEMBL4400229 0.73 NPC1 (0.46) KDM4ENPC1MAPK1ALDH1A1
SCHEMBL31517695 0.73 NPC1 (0.46) KDM4ENPC1MAPK1ALDH1A1

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-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 — — US disclosed
US-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-08-17 — — US disclosed
US-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-08-17 — — US disclosed
US-9556190-B2 Piperidinyloxy lactone orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-31 — — US disclosed
US-9556190-B2 Piperidinyloxy lactone orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-31 — — US disclosed
US-20160318944-A1 PIPERIDINYLOXY LACTONE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-11-03 — — US disclosed
US-20160318944-A1 PIPERIDINYLOXY LACTONE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-11-03 — — 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 (3 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-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST HCRTR1, HCRTR2, OPRD1 HCRTR1 1/4885HCRTR2 2/4885TRPV1 153/4885
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HCRTR1, HCRTR2, CCKBR HCRTR1 1/4885HCRTR2 2/4885TRPV1 196/4885
US-20160318944-A1 PIPERIDINYLOXY LACTONE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 HCRTR1 2/4885HCRTR2 1/4885TRPV1 88/4885

“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.

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