SCHEMBL705011

SCHEMBL705011

CCc1nn(C(C)C)c2cc(Br)ccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.47
PDGFRA P16234 1/20 0.36
CDK5 Q00535 1/20 0.36
TYRO3 Q06418 1/20 0.36
KHK P50053 6/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
RET P07949 1/20 0.32
SLC22A12 Q96S37 3/20 0.32
POLB P06746 1/20 0.32
MPO P05164 1/20 0.32
TBXA2R P21731 1/20 0.31
PTGER1 P34995 1/20 0.31
PTGER3 P43115 1/20 0.31

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
SCHEMBL23467048 0.88 NLRP3 (0.40) NLRP3HTR2AHTR2CPOLBMPO
SCHEMBL906048 0.81 PDGFRA (0.35) NLRP3PDGFRACDK5TYRO3KHK
SCHEMBL26997341 0.79 TMEM97 (0.34) NLRP3KHKHTR2AHTR2CSLC22A12
SCHEMBL16596067 0.79 GRM4 (0.43) NLRP3PDGFRACDK5TYRO3KHK
SCHEMBL4507507 0.79 GRM4 (0.43) PDGFRACDK5TYRO3KHKSLC22A12
SCHEMBL13322761 0.78 PDGFRA (0.55) NLRP3PDGFRACDK5TYRO3HTR2A
SCHEMBL683164 0.78 ADORA2A (0.43) PDGFRACDK5TYRO3KHKHTR2A
SCHEMBL25036653 0.78 NLRP3 (0.44) NLRP3PDGFRACDK5TYRO3RET
SCHEMBL5353366 0.77 KHK (0.39) NLRP3KHK
SCHEMBL18993246 0.77 MPO (0.45) POLBMPO

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 15 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
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO 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 NLRP3 2632/4885PDGFRA 657/4885CDK5 110/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NLRP3 2632/4885PDGFRA 657/4885CDK5 110/4885

“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.