SCHEMBL13633144

SCHEMBL13633144

Cn1c(=O)n(C)c2cc(CC(C)(C)C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ BRD4 O60885 2/20 0.45
▸ BRPF1 P55201 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GRM2 Q14416 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL11600370 0.80 ALDH1A1 (0.56) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL29490252 0.79 POLB (0.54) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL22862558 0.79 POLB (0.54) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL12136691 0.79 RAB9A (0.57) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL11603001 0.79 ALDH1A1 (0.55) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL13156353 0.78 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL9388512 0.78 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL22862551 0.78 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL29490174 0.78 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL7479892 0.78 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 — — US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 — — US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 — — US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 — — 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 POLB 782/4885SMN1; SMN2 2395/4885TSHR 367/4885

“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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