SCHEMBL2073765

SCHEMBL2073765

CC(C)CC(=O)Nc1nccc(N2CCN(C(C)C)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.50
OGA O60502 1/20 0.49
HRH3 Q9Y5N1 4/20 0.43
SHMT2 P34897 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CXCR4 P61073 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 1/20 0.40
PTPN11 Q06124 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2072892 0.87 OGA (0.48) HRH4OGAHRH3HDAC3HDAC1
SCHEMBL2075168 0.83 HRH4 (0.46) HRH4OGAHRH3SHMT2CXCR4
SCHEMBL2075511 0.79 HRH4 (0.48) HRH4OGAHRH3SHMT2ALDH1A1
SCHEMBL2076140 0.78 OGA (0.47) HRH4OGAHRH3SMN1; SMN2ADORA1
SCHEMBL2074448 0.78 IDH1 (0.48) HRH4OGASHMT2CXCR4ALDH1A1
SCHEMBL2074665 0.77 KDM4E (0.46) HRH4OGAHRH3MAPTALDH1A1
SCHEMBL2075468 0.75 EGFR (0.48) HRH4HRH3SMN1; SMN2MAPTALDH1A1
SCHEMBL4197090 0.75 HRH3 (0.46) HRH4OGAHRH3
SCHEMBL2074918 0.72 HRH3 (0.69) HRH4OGAHRH3
SCHEMBL19116507 0.70 SMN1; SMN2 (0.48) SMN1; SMN2ADORA1MAPTGAAALDH1A1

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-7902184-B2 Piperazinyl pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-20070281921-A1 Piperidinyl pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2007-12-06 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-20070281921-A1 Piperidinyl pyrimidine derivatives HRH2, P2RX5, P2RX3 HRH4 4/4885OGA 4644/4885HRH3 8/4885

“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.