SCHEMBL23502014

SCHEMBL23502014

CC(C)c1ncccc1-c1ccc(N2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.47
▸ S1PR1 P21453 2/20 0.41
▸ CHKA P35790 1/20 0.41
▸ KDM5B Q9UGL1 2/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38

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
SCHEMBL15723923 0.81 CNR2 (0.58) KDM5BCNR2KDM4E
SCHEMBL624415 0.78 MKNK1 (0.50) AURKACHKACNR2RAB9AMAPT
SCHEMBL20355533 0.76 MAPT (0.44) CNR2MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL15723909 0.75 OPRK1 (0.52) OPRM1OPRK1RAB9ANPC1PKM
SCHEMBL14555509 0.75 PTGS2 (0.45) RAB9AMAPTNPC1PKMHTT
SCHEMBL15723877 0.75 COMT (0.46) RAB9AMAPTNPC1PKMSMN1; SMN2
SCHEMBL15723950 0.75 PTGS1 (0.44) MAPTHTTALDH1A1
SCHEMBL18853955 0.74 TDP1 (0.41) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL26627849 0.74 USP7 (0.44) RAB9AMAPTNPC1PKMSMN1; SMN2
SCHEMBL9963326 0.74 GCGR (0.42) —

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-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — 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 (2 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN AURKA 4058/4885S1PR1 110/4885CHKA 2457/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN AURKA 4058/4885S1PR1 110/4885CHKA 2457/4885

“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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