SCHEMBL8948748

SCHEMBL8948748

O=C(COC1CNC1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.42
MC4R P32245 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL8948815 0.86 CHRNB2 (0.50) HTR2CALDH1A1MAPK1L3MBTL1GLA
SCHEMBL3922320 0.85 NMT1 (0.50) HTR2CALDH1A1MAPK1L3MBTL1GLA
SCHEMBL15369724 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1GLASLC6A2
SCHEMBL20859045 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1GLASLC6A2
SCHEMBL20859042 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1GLASLC6A2
SCHEMBL20859044 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1GLASLC6A2
SCHEMBL581885 0.78 CTSL (0.51) HTR2CSLC6A2SLC6A3
SCHEMBL17726560 0.78 HTR2C (0.55) HTR2CALDH1A1MAPK1L3MBTL1GLA
SCHEMBL23705529 0.77 LMNA (0.65) HTR2CALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL20859110 0.77 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1GLASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319812-A1 HETEROCYCLIC COMPOUND ACTION MEDICAL TECHNOLOGIES, LLC 2018-11-08 US disclosed
US-10053468-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-21 US disclosed
US-20170050974-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
EP-3018126-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-05-11 EP disclosed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 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 (3 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-10053468-B2 Heterocyclic compound RORC, RORB, RORA HTR2C 2254/4885ALDH1A1 210/4885MAPK1 1201/4885
US-20170050974-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA HTR2C 2254/4885ALDH1A1 210/4885MAPK1 1201/4885
US-20180319812-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA HTR2C 2254/4885ALDH1A1 210/4885MAPK1 1201/4885

“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.