SCHEMBL19897784

SCHEMBL19897784

Cc1c(OCCCN(C)CCCN)cccc1-c1cccc(OCCCN(C)CCCN)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 6/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTR1D P28221 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYBB P04839 1/20 0.40
▸ NCF1 P14598 1/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HRH1 P35367 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
SCHEMBL19897545 0.84 KDM4E (0.44) HTR1BLMNAHTR1DL3MBTL1HTR7
SCHEMBL30395792 0.84 HTR1B (0.45) HTR1BLMNAHTR1DL3MBTL1HTR7
SCHEMBL19897869 0.81 LTA4H (0.55) LMNAL3MBTL1KDM4E
SCHEMBL10678598 0.81 HTR1B (0.45) HTR1BLMNAL3MBTL1HTR7TP53
SCHEMBL19897663 0.77 KDM4E (0.38) HTR1BLMNAHTR1DL3MBTL1HTR7
SCHEMBL19911753 0.77 KDM4E (0.38) HTR1BLMNAHTR1DL3MBTL1HTR7
SCHEMBL19911752 0.75 HTR1B (0.41) HTR1BLMNAHTR1DL3MBTL1HTR7
SCHEMBL8290815 0.75 L3MBTL1 (0.53) HTR1BLMNAHTR1DL3MBTL1CYBB
SCHEMBL29615262 0.75 HTR1B (0.41) HTR1BLMNAHTR1DL3MBTL1HTR7
SCHEMBL10677366 0.75 HTR1B (0.44) HTR1BLMNAL3MBTL1TP53MAPK1

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-10144706-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-04 — — 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 (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-10144706-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 HTR1B 4346/4885LMNA 4791/4885HTR1D 4728/4885
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 HTR1B 4346/4885LMNA 4791/4885HTR1D 4728/4885

“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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