SCHEMBL20003977

SCHEMBL20003977

CC(C)NCCN1CCC[C@@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HRH3 Q9Y5N1 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ HTR7 P34969 4/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ PRMT8 Q9NR22 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
SCHEMBL21214401 1.00 KDM4E (0.46) KDM4EGAASMN1; SMN2HRH3ALDH1A1
SCHEMBL19226319 1.00 KDM4E (0.46) KDM4EGAASMN1; SMN2HRH3ALDH1A1
SCHEMBL18782450 0.90 KDM4E (0.44) KDM4EHRH3HTR7
SCHEMBL17888267 0.81 CARM1 (0.60) KDM4EGAASMN1; SMN2HRH3ALDH1A1
SCHEMBL17277592 0.81 CARM1 (0.60) KDM4EGAASMN1; SMN2HRH3ALDH1A1
SCHEMBL17888266 0.81 CARM1 (0.60) KDM4EGAASMN1; SMN2HRH3ALDH1A1
SCHEMBL18233590 0.81 CARM1 (0.35) HRH3CARM1PRMT6PRMT1PRMT8
SCHEMBL21078331 0.80 KDM4E (0.47) KDM4EGAASMN1; SMN2HRH3ALDH1A1
SCHEMBL18774762 0.79 USP2 (0.36) KDM4EGAASMN1; SMN2HRH3ALDH1A1
SCHEMBL19226608 0.79 USP2 (0.36) KDM4EGAASMN1; SMN2HRH3ALDH1A1

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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE 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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 KDM4E 2788/4885GAA 2777/4885SMN1; SMN2 1524/4885

“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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