SCHEMBL20597809

SCHEMBL20597809

CC(C)CN(c1ccc(Br)c(F)c1N)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 0.36
▸ ABCB11 O95342 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ AR P10275 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ S1PR1 P21453 1/20 0.31
▸ CCKBR P32239 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL18342799 0.81 IDO1 (0.38) IDO1MAPTKMT2A
SCHEMBL16538309 0.77 IDO1 (0.36) IDO1ABCB11ADORA3ARCYP2D6
SCHEMBL16538494 0.76 IDO1 (0.41) IDO1ABCB11ADORA3ARCYP2D6
SCHEMBL16538202 0.76 ALDH1A1 (0.31) IDO1
SCHEMBL28145488 0.72 IDO1 (0.38) IDO1SLC6A2SLC6A4LMNACCKBR
SCHEMBL18342952 0.69 IDO1 (0.51) IDO1KMT2A
SCHEMBL16538371 0.69 KMT2A (0.45) IDO1ABCB11ADORA3ARCYP2D6
SCHEMBL4471183 0.69 CCKBR (0.39) IDO1SLC6A2SLC6A4S1PR1CCKBR
SCHEMBL20301578 0.68 IDO1 (0.35) IDO1S1PR1CCKBR
SCHEMBL21939387 0.68 IDO1 (0.41) IDO1LMNACCKBRKMT2ANPSR1

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-10689331-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-23 — — US disclosed
US-20190002402-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-01-03 — — 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-20190002402-A1 IDO INHIBITORS IDO1, IDO2, INMT IDO1 1/4885ABCB11 4044/4885ADORA3 1665/4885
US-10689331-B2 IDO inhibitors IDO1, IDO2, INMT IDO1 1/4885ABCB11 4044/4885ADORA3 1665/4885

“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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