SCHEMBL705027

SCHEMBL705027

Cn1nc(C2CCC2)c2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
CREBBP Q92793 3/20 0.39
MAPK8 P45983 1/20 0.36
CNR1 P21554 3/20 0.36
CACNA1H O95180 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 3/20 0.35
GRM4 Q14833 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
HTR3A P46098 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 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
SCHEMBL15333180 0.94 BRD4 (0.43) BRD4CREBBPMAPK8CNR1CACNA1H
SCHEMBL17446850 0.88 HTT (0.41) BRD4CREBBPMAPK8CNR1CACNA1H
SCHEMBL681760 0.81 HTR4 (0.35) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL682829 0.81 GRM4 (0.37) CNR1MAPTGRM4SIGMAR1MEN1
SCHEMBL20030974 0.80 SIGMAR1 (0.34) BRD4CREBBPMAPK8CNR1CACNA1H
SCHEMBL18744649 0.79 CNR1 (0.35) CNR1MAPTSIGMAR1MEN1KMT2A
SCHEMBL20101161 0.78 CNR1 (0.44) BRD4CREBBPMAPK8CNR1CACNA1H
SCHEMBL15345097 0.76 BRD4 (0.44) BRD4CREBBPCNR1CACNA1HCYP1A2
SCHEMBL10737866 0.75 DDB1 (0.43) BRD4CREBBPCYP1A2GRM4DDB1
SCHEMBL682831 0.75 MAPT (0.34) CNR1MAPT

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 BRD4 581/4885CREBBP 289/4885MAPK8 3332/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D BRD4 581/4885CREBBP 289/4885MAPK8 3332/4885

“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.