SCHEMBL12639963

SCHEMBL12639963

CCC(N)CN(CC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.50
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ TAAR1 Q96RJ0 5/20 0.39
▸ GLA P06280 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
SCHEMBL3442158 0.87 TSHR (0.48) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL502944 0.85 TSHR (0.47) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL502945 0.85 TSHR (0.47) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL2079917 0.85 TSHR (0.47) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL11801659 0.82 TSHR (0.52) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL12930708 0.82 TSHR (0.44) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL12961615 0.78 TSHR (0.47) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL8959927 0.78 TSHR (0.55) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL11746154 0.77 TSHR (0.50) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL11675026 0.77 TSHR (0.46) TSHRMEN1NPC1RAB9AKMT2A

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-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 — — 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 TSHR 2104/4885MEN1 3643/4885NPC1 4720/4885

“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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