SCHEMBL19911752

SCHEMBL19911752

Cc1c(OCCCN(CCO)CCO)cccc1-c1cccc(OCCCN(CCO)CCO)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.41
CD274 Q9NZQ7 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR7 P34969 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAD52 P43351 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1D P28221 1/20 0.37

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
SCHEMBL29615262 1.00 HTR1B (0.41) HTR1BCD274KDM4EALDH1A1MEN1
SCHEMBL19939445 0.86 CYP2D6 (0.52) CD274KDM4EALDH1A1MEN1KMT2A
SCHEMBL19897545 0.84 KDM4E (0.44) HTR1BKDM4EALDH1A1MEN1KMT2A
SCHEMBL19939871 0.82 CYP2D6 (0.48) CD274KDM4EALDH1A1MEN1KMT2A
SCHEMBL19939438 0.82 KDM4E (0.34) HTR1BKDM4EALDH1A1MEN1KMT2A
SCHEMBL19897514 0.81 CD274 (0.51) CD274KDM4EALDH1A1MEN1KMT2A
SCHEMBL19939510 0.80 CYP2D6 (0.46) CD274KDM4EALDH1A1MEN1KMT2A
SCHEMBL19939874 0.80 SYK (0.40) KDM4EMEN1KMT2ARECQLNPSR1
SCHEMBL19939448 0.78 KCNA5 (0.44)
SCHEMBL19897622 0.78 CD274 (0.49) CD274KDM4EALDH1A1MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507284-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2019-07-10 EP claimed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO claimed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
EP-3507284-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2019-07-10 EP disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 US disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 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 (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-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 HTR1B 4346/4885CD274 52/4885KDM4E 4249/4885

“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.