SCHEMBL20883569

SCHEMBL20883569

CC(C)c1ccc(N2CCN(C(=O)C3CCCC3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.60
▸ TSHR P16473 5/20 0.52
▸ NAMPT P43490 1/20 0.52
▸ PANK3 Q9H999 3/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ALOX12 P18054 1/20 0.49

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
SCHEMBL22542070 0.84 ALDH1A1 (0.69) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL24127160 0.83 ALDH1A1 (0.54) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL22814982 0.82 ALDH1A1 (0.68) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL22814979 0.82 ALDH1A1 (0.68) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL189163 0.81 ALDH1A1 (0.69) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL24451825 0.80 KMT2A (0.64) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL24451718 0.80 CCR1 (0.52) KMT2AALDH1A1MEN1TSHRSMN1; SMN2
SCHEMBL28581975 0.79 KMT2A (0.72) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL20883565 0.79 AKR1C3 (0.67) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL6472537 0.79 TSHR (0.65) MAPTKMT2AALDH1A1MEN1TDP1

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-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 — — US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 — — US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — 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 (3 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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 MAPT 4445/4885KMT2A 2106/4885ALDH1A1 2869/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL MAPT 3958/4885KMT2A 2073/4885ALDH1A1 2242/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 MAPT 4642/4885KMT2A 2261/4885ALDH1A1 1113/4885

“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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