SCHEMBL12440254

SCHEMBL12440254

Cc1nccc(N2CCC(C(C)(C)C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.45
▸ LSS P48449 1/20 0.43
▸ SORD Q00796 3/20 0.41
▸ HRH4 Q9H3N8 8/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ OGA O60502 4/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL31182225 0.82 HRH4 (0.43) HRH3LSSHRH4MAP4K4
SCHEMBL22932938 0.82 OGA (0.52) HRH3LSSSORDHRH4CYP17A1
SCHEMBL16684774 0.81 HRH3 (0.69) HRH3LSSSORDHRH4CYP17A1
Hydrochloric Acid SCHEMBL16684891 0.79 HRH3 (0.67) HRH3LSSSORDHRH4CYP17A1
Hydrochloric Acid SCHEMBL2272733 0.79 HRH3 (0.67) HRH3LSSSORDHRH4CYP17A1
SCHEMBL785843 0.78 HRH4 (0.57) HRH3LSSHRH4
SCHEMBL24799135 0.78 SORD (0.48) HRH3LSSSORDHRH4
SCHEMBL3167113 0.78 CXCR4 (0.49) HRH3SORDHRH4
SCHEMBL7660332 0.77 LSS (0.45) HRH3LSSSORDHRH4CYP17A1
SCHEMBL16691295 0.77 HRH4 (0.46) HRH3LSSSORDHRH4

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-8969405-B2 Anticancer compounds and methods of making and using same ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2015-03-03 — — US disclosed
US-20110178098-A1 ANTICANCER COMPOUNDS AND METHODS OF MAKING AND USING SAME ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2011-07-21 — — 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-20110178098-A1 ANTICANCER COMPOUNDS AND METHODS OF MAKING AND USING SAME MKI67, MCL1, BAD HRH3 4503/4885LSS 58/4885SORD 1153/4885

“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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