SCHEMBL16698478

SCHEMBL16698478

COCCN1CC[C@H](N(C)c2ccc(N)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
KDM1A O60341 2/20 0.38
HRH3 Q9Y5N1 7/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
LTA4H P09960 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ADORA2A P29274 1/20 0.33

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 1.00 PGR (0.43) PGRKDM1AHRH3HRH2HRH1
SCHEMBL21727142 1.00 PGR (0.43) PGRKDM1AHRH3HRH2HRH1
SCHEMBL16391087 0.86 PGR (0.42) PGRKDM1AHRH3HRH2HRH1
SCHEMBL16698317 0.85 PGR (0.46) PGRKDM1AHRH3HRH2HRH1
SCHEMBL16698718 0.84 JAK2 (0.41) KDM1AHRH3HRH2HRH1JAK2
SCHEMBL21338053 0.84 JAK2 (0.41) KDM1AHRH3HRH2HRH1JAK2
SCHEMBL21338059 0.83 PGR (0.41) PGRHRH3HRH2HRH1KDM2B
SCHEMBL16391119 0.83 PGR (0.41) PGRHRH3HRH2HRH1KDM2B
SCHEMBL18463448 0.82 GFER (0.41) HRH3HRH2HRH1JAK2JAK1
SCHEMBL16706338 0.82 CCR5 (0.42) PGRSIGMAR1LTA4HPTGS1PTGS2

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 16 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
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-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2018-09-06 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-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-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
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 (4 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
US-20180251475-A1 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.