SCHEMBL21286657

SCHEMBL21286657

C[C@H](NSC(C)(C)C)c1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ MC4R P32245 1/20 0.46
▸ CHKA P35790 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ NCF1 P14598 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL29732974 0.76 LMNA (0.46) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL19778438 0.76 LMNA (0.46) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL19778437 0.76 LMNA (0.46) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL6894415 0.76 LMNA (0.68) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL21388664 0.75 ALDH1A1 (0.50) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL19778420 0.74 LMNA (0.43) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL19179414 0.74 HDAC6 (0.48) CHKAALDH1A1HDAC6NTRK1RAB9A
SCHEMBL14846692 0.74 HDAC6 (0.48) CHKAALDH1A1HDAC6NTRK1RAB9A
SCHEMBL21378560 0.73 LMNA (0.64) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL19852589 0.73 LMNA (0.59) LMNAMC4RCHKAALDH1A1HDAC6

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-10752626-B2 Iso-citrate dehydrogenase (IDH) inhibitor SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) 2020-08-25 — — US disclosed
US-20190256511-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2019-08-22 — — 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 (2 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-20190256511-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR IDH3A, IDH2, IDH1 LMNA 3740/4885MC4R 4542/4885CHKA 1695/4885
US-10752626-B2 Iso-citrate dehydrogenase (IDH) inhibitor IDH3A, IDH2, IDH1 LMNA 3740/4885MC4R 4542/4885CHKA 1695/4885

“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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