SCHEMBL15047873

SCHEMBL15047873

Cc1ccc2c(O)nccc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
HTT P42858 2/20 0.34
SLC6A2 P23975 1/20 0.34
KMT2A Q03164 2/20 0.32
OPRK1 P41145 1/20 0.32
TLR8 Q9NR97 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14662632 0.77
SCHEMBL29121551 0.77 LMNA (0.46) CCR1CCR5CCR8L3MBTL1
SCHEMBL30676603 0.77 LMNA (0.46) CCR1CCR5CCR8L3MBTL1
SCHEMBL29122909 0.77 NOS2 (0.45) CCR1CCR5CCR8KMT2AKDM4E
SCHEMBL15047831 0.77 TLR8 (0.38) CCR1CCR5CCR8HTTSLC6A2
SCHEMBL9883264 0.77 GABRA1 (0.39) SMN1; SMN2
SCHEMBL9880930 0.77 CA2 (0.31) TDP1
SCHEMBL7530012 0.76 CYP1A2 (0.40) CCR1CCR5CCR8KMT2AOPRK1
SCHEMBL15483443 0.74 CSNK2A1 (0.37) CCR1CCR5CCR8SLC6A2L3MBTL1
SCHEMBL27338181 0.73 CYP1A2 (0.38) CCR1CCR5CCR8L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
EP-3354643-B1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS INC (US) 2020-10-28 EP disclosed
EP-3354643-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2018-08-01 EP disclosed
EP-3053913-B1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS INC (US) 2018-03-07 EP disclosed
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2017-08-17 US disclosed
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2016-09-22 US disclosed
EP-3053913-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2016-08-10 EP disclosed
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
US-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-8716310-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2013-06-20 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 (5 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-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CCR1 4317/4885CCR5 3358/4885CCR8 4676/4885
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CCR1 4317/4885CCR5 3358/4885CCR8 4676/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CCR1 4317/4885CCR5 3358/4885CCR8 4676/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CCR1 4317/4885CCR5 3358/4885CCR8 4676/4885
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CCR1 4317/4885CCR5 3358/4885CCR8 4676/4885

“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.