SCHEMBL12866772

SCHEMBL12866772

CC(C)(C)Cc1cccc(OCCC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 2/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GUSB P08236 1/20 0.37

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
SCHEMBL16502341 0.83 ALDH1A1 (0.54) KMT2AMEN1GAATSHRKDM4E
SCHEMBL12866793 0.82 GGPS1 (0.50) GGPS1KMT2ATSHRKDM4EALDH1A1
SCHEMBL10224056 0.81 GGPS1 (0.46) GGPS1TSHR
SCHEMBL9871229 0.80 NOS1 (0.46) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL11764164 0.80 GAA (0.50) KMT2AMEN1GAA
SCHEMBL12775663 0.80 ALDH1A1 (0.48) GGPS1KMT2ATSHRKDM4EALDH1A1
SCHEMBL10224068 0.80 GGPS1 (0.48) GGPS1GAATSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9870439 0.79 NOS1 (0.47) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL10968800 0.79 NOS1 (0.45) KMT2AMEN1GAATSHRKDM4E
SCHEMBL16841500 0.77 GGPS1 (0.41) GGPS1TSHRKDM4EALDH1A1SMN1; SMN2

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-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 — — US disclosed
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 — — 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-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT GGPS1 1089/4885KMT2A 3066/4885MEN1 3248/4885

“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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