SCHEMBL30846616

SCHEMBL30846616

CC(C(=O)Nc1ccc(F)cc1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ EPHX1 P07099 2/20 0.57
▸ KLK7 P49862 2/20 0.53
▸ HTR2B P41595 1/20 0.51
▸ IDO1 P14902 6/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HPN P05981 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ TDO2 P48775 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48

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
SCHEMBL30846653 0.98 NPC1 (0.55) NPC1RAB9AEPHX1KLK7HTR2B
SCHEMBL20852646 0.87 IDO1 (0.50) KLK7IDO1CYP2C9MAPTRECQL
SCHEMBL20866546 0.86 HTR1E (0.62) NPC1RAB9AEPHX1MAPTHPN
SCHEMBL22809038 0.85 SMN1; SMN2 (0.57) NPC1RAB9AEPHX1IDO1CYP2C9
SCHEMBL5844661 0.82 CTSS (0.50) NPC1RAB9AEPHX1KLK7HTR2B
SCHEMBL20838723 0.81 IDO1 (0.51) NPC1RAB9AKLK7IDO1CYP2C9
SCHEMBL17737122 0.81 IDO1 (0.51) NPC1RAB9AKLK7IDO1CYP2C9
SCHEMBL17737121 0.81 IDO1 (0.51) NPC1RAB9AKLK7IDO1CYP2C9
SCHEMBL20852663 0.81 IDO1 (0.51) NPC1RAB9AKLK7IDO1CYP2C9
SCHEMBL29246374 0.78 NPC1 (0.54) NPC1RAB9AEPHX1KLK7HTR2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 — — 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-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 NPC1 4332/4885RAB9A 868/4885EPHX1 1796/4885

“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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