SCHEMBL20216199

SCHEMBL20216199

CC(C)(C)c1ccc(OCC2(CCN)CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ APP P05067 1/20 0.37
▸ PSMB1 P20618 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35

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
SCHEMBL20216127 0.84 SOD1 (0.40) LMNAHTT
SCHEMBL25557799 0.75 SMN1; SMN2 (0.40) HRH3KDM4EMAOBAOC3SMN1; SMN2
SCHEMBL13165304 0.73 SMN1; SMN2 (0.42) HRH3KDM4EMAOBAOC3SMN1; SMN2
SCHEMBL24486533 0.70 KDM4E (0.42) KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL29053334 0.70 SMN1; SMN2 (0.50) HRH3KDM4EMAOBAOC3SMN1; SMN2
SCHEMBL4902926 0.69 SMN1; SMN2 (0.66) HRH3KDM4EMAOBAOC3SMN1; SMN2
SCHEMBL15135779 0.69 HRH3 (0.52) HRH3KDM4ESMN1; SMN2TP53LMNA
SCHEMBL8099447 0.69 SMN1; SMN2 (0.41) HRH3KDM4EMAOBAOC3SMN1; SMN2
SCHEMBL9158885 0.68 LTA4H (0.40) RAB9A
SCHEMBL1714921 0.68 SMN1; SMN2 (0.44) HRH3KDM4EMAOBAOC3SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 — — US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 — — US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 — — 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-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HRH3 539/4885KDM4E 3792/4885MAOB 230/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK HRH3 2521/4885KDM4E 866/4885MAOB 2519/4885

“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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