SCHEMBL20209780

SCHEMBL20209780

CCC(=O)c1nnn(-c2cccc(Cl)c2)c1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
HSD11B1 P28845 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 4/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.41
BRCA1 P38398 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGD P15428 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
NOTUM Q6P988 1/20 0.40
GPBAR1 Q8TDU6 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
SCHEMBL15933234 0.88 ALDH1A1 (0.49) HSD11B1ALDH1A1HTTLMNAL3MBTL1
SCHEMBL15930177 0.85 IDO1 (0.44) HSD11B1ALDH1A1HTTLMNAL3MBTL1
SCHEMBL18933787 0.82 IDO1 (0.48) HSD11B1ALDH1A1HTTLMNAL3MBTL1
SCHEMBL4771914 0.73 HTT (0.64) ALDH1A1HTTPTGS2KDM4ESMN1; SMN2
SCHEMBL2568446 0.73 TP53 (0.47) HTTLMNAPTGS2IDO1TDO2
SCHEMBL29957108 0.73 TP53 (0.47) HTTLMNAPTGS2IDO1TDO2
SCHEMBL20604227 0.72 HTT (0.72) ALDH1A1HTTLMNAL3MBTL1PTGS2
SCHEMBL2218858 0.70 ALDH1A1 (0.43) HSD11B1ALDH1A1HTTLMNAL3MBTL1
SCHEMBL14692564 0.70 ALDH1A1 (0.53) ALDH1A1HTTLMNAL3MBTL1HPGD
SCHEMBL18933496 0.69 HTT (0.59) CHRNA7ALDH1A1HTTL3MBTL1PTGS2

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-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 CHRNA7 4223/4885HSD11B1 818/4885ALDH1A1 4457/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 CHRNA7 3974/4885HSD11B1 658/4885ALDH1A1 4479/4885

“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.