SCHEMBL4779583

SCHEMBL4779583

CC(C)C1CN(c2ncc3ccccc3n2)CCN1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 3/20 0.47
PDE10A Q9Y233 9/20 0.45
HDAC1 Q13547 1/20 0.43
OGA O60502 1/20 0.43
HTT P42858 1/20 0.42
PRKCQ Q04759 3/20 0.42
PRKCD Q05655 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL23744105 0.84 HTR3A (0.57) HTR3AHRH4ROCK2PDE10AHCRTR1
SCHEMBL30345684 0.84 HTR3A (0.57) HTR3AHRH4ROCK2PDE10AHCRTR1
SCHEMBL14258880 0.80 TSHR (0.47) HTR3AHRH4ROCK2ROCK1HDAC1
SCHEMBL15543239 0.80 KDM4E (0.57) HTR3AHRH4HDAC1HTTPRKCQ
SCHEMBL15589509 0.79 HTR3A (0.51) HTR3AHRH4HDAC1HTTPRKCQ
SCHEMBL14305157 0.79 HTR3A (0.51) HTR3AHRH4HDAC1HTTPRKCQ
SCHEMBL15589508 0.79 HTR3A (0.51) HTR3AHRH4HDAC1HTTPRKCQ
SCHEMBL27471402 0.79 HTR3A (0.50) HTR3AHRH4ROCK2ROCK1PDE10A
SCHEMBL4726050 0.78 TSHR (0.46) HTR3AHRH4ROCK2ROCK1HDAC1
SCHEMBL4725671 0.78 TSHR (0.46) HTR3AHRH4ROCK2ROCK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals ABBVIE INC. (US) 2018-10-30 US disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
WO-2014005129-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC. (US) 2014-01-03 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO 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 (3 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-20150322045-A1 CYANOGUANIDINES AND USES THEREOF GMPS, RNGTT, RNMT HTR3A 3352/4885HRH4 3735/4885ROCK2 1691/4885
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals RNGTT, GMPS, RNMT HTR3A 3831/4885HRH4 2949/4885ROCK2 3179/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 HTR3A 180/4885HRH4 817/4885ROCK2 4222/4885

“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.