SCHEMBL683164

SCHEMBL683164

CCc1nn(CC)c2cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
ADORA2B P29275 1/20 0.43
SLC22A12 Q96S37 7/20 0.41
ESR1 P03372 1/20 0.40
PDGFRA P16234 1/20 0.38
CDK5 Q00535 1/20 0.38
TYRO3 Q06418 1/20 0.38
KHK P50053 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
AKR1B1 P15121 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL683169 0.87 ADORA2A (0.46) ADORA2AADORA2BSLC22A12ESR1PDGFRA
SCHEMBL25886396 0.87 ADORA2A (0.40) ADORA2AADORA2BESR1PTGDR2GAA
Ammonia Solution, Strong SCHEMBL906049 0.86 ADORA2A (0.45) ADORA2AADORA2BSLC22A12ESR1PDGFRA
SCHEMBL906047 0.82 HTR2C (0.51) SLC22A12PDGFRACDK5TYRO3HTR2A
SCHEMBL7526015 0.82 SLC22A12 (0.50) SLC22A12KHKPTGDR2GAAMAPT
SCHEMBL2144945 0.81 ADORA2A (0.62) ADORA2AADORA2BSLC22A12ESR1PDGFRA
SCHEMBL4507507 0.81 GRM4 (0.43) ADORA2AADORA2BSLC22A12ESR1PDGFRA
SCHEMBL24045599 0.80 ADORA2A (0.43) ADORA2AADORA2BSLC22A12ESR1KHK
SCHEMBL21114112 0.80 ADORA2A (0.43) ADORA2AADORA2BESR1PDGFRACDK5
SCHEMBL30274181 0.80 ADORA2A (0.43) ADORA2AADORA2BESR1PDGFRACDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ADORA2A 301/4885ADORA2B 260/4885SLC22A12 1673/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ADORA2A 301/4885ADORA2B 260/4885SLC22A12 1673/4885

“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.