SCHEMBL20012866

SCHEMBL20012866

CC(CCC(C)N1CCN(Cc2nccn2C)[C@H](C)C1)N1CC2CCC(C1)N2c1ncccn1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL20009004 0.78 ALDH1A1 (0.35) ALDH1A1LMNANPSR1
SCHEMBL20009033 0.78 ALDH1A1 (0.35) ALDH1A1LMNANPSR1
SCHEMBL26241586 0.71 KAT2B (0.35) ALDH1A1LMNANPSR1
SCHEMBL20012529 0.71 KAT2B (0.35) ALDH1A1LMNANPSR1
SCHEMBL26241549 0.71 KAT2B (0.35) ALDH1A1LMNANPSR1
SCHEMBL20012734 0.68 ALDH1A1 (0.41) ALDH1A1LMNANPSR1
SCHEMBL20009032 0.66 SLC6A7 (0.38) ALDH1A1LMNAGLANPSR1
SCHEMBL18081206 0.62 OPRM1 (0.45) HTR1A
SCHEMBL18705086 0.60 EGLN1 (0.44) ALDH1A1NPSR1
SCHEMBL9963401 0.60 LMNA (0.45) ALDH1A1LMNA

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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HTR1A 2791/4885ALDH1A1 3032/4885LMNA 1055/4885

“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.