SCHEMBL31456502

SCHEMBL31456502

CC1(C)CC12C(=O)Nc1ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ GSK3B P49841 2/20 0.37
▸ CALCA P06881 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ OTUD7B Q6GQQ9 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ APP P05067 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CALCRL Q16602 6/20 0.32
▸ MARK3 P27448 1/20 0.32

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
SCHEMBL21920792 1.00 NPC1 (0.43) NPC1GSK3BCALCACYP1A2SMN1; SMN2
SCHEMBL31404120 0.79 PDK2 (0.50) NPC1GSK3BCYP1A2SMN1; SMN2AKR1B1
SCHEMBL2268820 0.79 PDK2 (0.50) NPC1GSK3BCYP1A2SMN1; SMN2AKR1B1
Hydrochloric Acid SCHEMBL30775696 0.77 PDK2 (0.48) NPC1GSK3BCYP1A2SMN1; SMN2AKR1B1
SCHEMBL13004676 0.77 NPC1 (0.46) NPC1GSK3BCALCACYP1A2SMN1; SMN2
SCHEMBL24390000 0.76 NPC1 (0.45) NPC1GSK3BCALCACYP1A2SMN1; SMN2
SCHEMBL16235885 0.74 CALCA (0.46) NPC1CALCACYP1A2SMN1; SMN2OTUD7B
SCHEMBL22796660 0.73 NPC1 (0.43) NPC1GSK3BCALCACYP1A2SMN1; SMN2
SCHEMBL26040260 0.73 NPC1 (0.43) NPC1GSK3BCALCACYP1A2SMN1; SMN2
SCHEMBL1700112 0.72 CALCA (0.49) CALCAOTUD7BCALCRL

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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 — — 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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 NPC1 1141/4885GSK3B 2071/4885CALCA 3179/4885

“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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