SCHEMBL19801208

SCHEMBL19801208

CC(=O)N1CCN(C(C)CCC(C)N2CCN(C(=O)OCC(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.44
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ P2RX4 Q99571 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL13503648 0.80 KIT (0.44) KITCASP6RAB9AHRH2HRH1
SCHEMBL23449305 0.75 PIK3CD (0.48) PIK3CDALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL8921640 0.75 RAB9A (0.45) PRMT5WDR77KITRAB9AHRH2
SCHEMBL12233216 0.75 RAB9A (0.51) PRMT5WDR77KITRAB9AHRH2
SCHEMBL5407237 0.75 MEN1 (0.52) PRMT5WDR77KITRAB9AHRH2
SCHEMBL5675565 0.74 RAB9A (0.47) KITRAB9AHRH2HRH1ALDH1A1
SCHEMBL22597880 0.74 RAB9A (0.47) KITCASP6RAB9AHRH2HRH1
SCHEMBL3953558 0.74 KIT (0.44) KITCASP6RAB9AHRH2HRH1
SCHEMBL3768429 0.73 KMT2A (0.55) PRMT5WDR77KITRAB9AHRH2
SCHEMBL10089203 0.72 HRH2 (0.47) PIK3CDKITRAB9AHRH2HRH1

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-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 — — US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 — — 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-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 PIK3CD 1571/4885PRMT5 1868/4885WDR77 3728/4885
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIK3CD 1571/4885PRMT5 1868/4885WDR77 3728/4885

“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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