SCHEMBL19229871

SCHEMBL19229871

Cc1ccc(-c2ccccn2)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.44
▸ TP53 P04637 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ PKM P14618 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ METAP1 P53582 2/20 0.43
▸ METAP2 P50579 2/20 0.43
▸ CBFB Q13951 1/20 0.43
▸ CCR1 P32246 3/20 0.42
▸ CCR5 P51681 3/20 0.42
▸ CCR8 P51685 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL12204551 0.83 METAP2 (0.50) KDM4ETP53NPC1PKMRAB9A
SCHEMBL19229862 0.81 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1CCR1
SCHEMBL3423163 0.80 KDM4E (0.50) KDM4ETP53NPC1PKMRAB9A
SCHEMBL9258894 0.80 KDM4E (0.50) KDM4ETP53NPC1PKMRAB9A
SCHEMBL30022592 0.79 KDM4E (0.48) KDM4ETP53NPC1PKMRAB9A
SCHEMBL29901536 0.79 KDM4E (0.50) KDM4ETP53NPC1PKMRAB9A
SCHEMBL4550924 0.79 KDM4E (0.50) KDM4ETP53NPC1PKMRAB9A
SCHEMBL5330963 0.77 NPC1 (0.49) KDM4ETP53NPC1PKMRAB9A
SCHEMBL12229600 0.77 KDM4E (0.39) KDM4ETP53SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL18373403 0.76 KDM4E (0.46) KDM4ETP53NPC1PKMRAB9A

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
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

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-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST HCRTR1, HCRTR2, OPRD1 KDM4E 1267/4885TP53 4876/4885NPC1 1353/4885

“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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