SCHEMBL18774762

SCHEMBL18774762

CC(C)NCCN1C[C@@H](C)C[C@H](C)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALPG P10696 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAOB P27338 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
SCHEMBL19226608 1.00 USP2 (0.36) USP2TSHRHRH3HRH4KDM4E
SCHEMBL18774761 1.00 USP2 (0.36) USP2TSHRHRH3HRH4KDM4E
SCHEMBL18782208 0.89 USP2 (0.43) USP2TSHRHRH3KDM4EALDH1A1
SCHEMBL18782409 0.89 USP2 (0.43) USP2TSHRHRH3KDM4EALDH1A1
SCHEMBL18774760 0.87 USP2 (0.39) USP2TSHRHRH3KDM4EALDH1A1
SCHEMBL18774771 0.87 USP2 (0.39) USP2TSHRHRH3KDM4EALDH1A1
SCHEMBL20003977 0.79 KDM4E (0.46) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL21214401 0.79 KDM4E (0.46) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL19226319 0.79 KDM4E (0.46) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL21214468 0.78 SIGMAR1 (0.47) TSHRKDM4EALDH1A1LMNAKMT2A

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-20170114053-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-04-27 — — 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-20170114053-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF HAVCR2, AR, AKR7A2 USP2 4167/4885TSHR 1063/4885HRH3 859/4885

“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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