SCHEMBL21855186

SCHEMBL21855186

Nc1ccc(N2CCC3(CCN(C(=O)O)CC3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 10/20 0.48
▸ ALDH1A1 P00352 10/20 0.48
▸ HPGD P15428 5/20 0.48
▸ SMN1; SMN2 Q16637 9/20 0.46
▸ CYP3A4 P08684 7/20 0.46
▸ CYP2C9 P11712 7/20 0.46
▸ CYP2C19 P33261 5/20 0.46
▸ TSHR P16473 5/20 0.46
▸ MAPK1 P28482 5/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ CYP2D6 P10635 5/20 0.45
▸ USP2 O75604 3/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ KCNH2 Q12809 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
SCHEMBL2456399 0.87 ME2 (0.47) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL30010609 0.81 RET (0.51) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21855212 0.79 MAPT (0.60) ALDH1A1HPGDCYP2C9MAPK1CYP1A2
SCHEMBL4763473 0.78 KMT2A (0.62) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21855140 0.78 USP2 (0.56) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL15638362 0.77 GRIN2D (0.43) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL4069836 0.76 HDAC1 (0.72) KCNH2HDAC1
SCHEMBL3539822 0.76 CYP3A4 (0.41) HSD17B10ALDH1A1HPGDCYP3A4GRIN2D
SCHEMBL15652304 0.76 SYK (0.48) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15636048 0.75 GRIN2D (0.44) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP3A4

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-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2024-04-18 — — US disclosed
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 — — WO 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-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK HSD17B10 3716/4885ALDH1A1 4160/4885HPGD 3787/4885

“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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