SCHEMBL16698317

SCHEMBL16698317

CCN(c1ccc(N)cc1)[C@H]1CCN(CCOC)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.46
KDM1A O60341 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
PSMD14 O00487 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH1 P35367 2/20 0.34
HRH2 P25021 1/20 0.34
CCR5 P51681 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
LTA4H P09960 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL21338078 0.85 PGR (0.43) PGRKDM1AHRH3HRH1HRH2
SCHEMBL16698478 0.85 PGR (0.43) PGRKDM1AHRH3HRH1HRH2
SCHEMBL21727142 0.85 PGR (0.43) PGRKDM1AHRH3HRH1HRH2
SCHEMBL16391087 0.84 PGR (0.42) PGRKDM1AHRH3ALDH1A1HRH1
SCHEMBL16391127 0.82 PGR (0.43) PGRALDH1A1MAPK1TDP1CCR5
SCHEMBL16698132 0.82 PGR (0.43) PGRALDH1A1MAPK1TDP1CCR5
SCHEMBL14321119 0.74 DRD2 (0.46) KDM1AHRH1
SCHEMBL21338059 0.71 PGR (0.41) PGRHRH3ALDH1A1CYP3A4MAPK1
SCHEMBL16391119 0.71 PGR (0.41) PGRHRH3ALDH1A1CYP3A4MAPK1
SCHEMBL16698020 0.71 KDM1A (0.44) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 US disclosed
US-9464089-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2016-10-11 US disclosed
US-9464089-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2016-10-11 US disclosed
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2015-05-14 US disclosed
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2015-05-14 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-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK PGR 611/4885KDM1A 2499/4885HRH3 258/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK PGR 611/4885KDM1A 2499/4885HRH3 258/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK PGR 611/4885KDM1A 2499/4885HRH3 258/4885

“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.