SCHEMBL4778322

SCHEMBL4778322

CC(C)C1CN(c2nc3ccccc3o2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
HTR3A P46098 1/20 0.49
LMNA P02545 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 3/20 0.48
SORD Q00796 2/20 0.46
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.43
ACACB O00763 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
NAAA Q02083 1/20 0.41
CRBN Q96SW2 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 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
SCHEMBL4779972 0.80 CHRNA7 (0.46) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL28320412 0.79 CHRNA7 (0.51) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL195554 0.76 HTR6 (0.53) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL2603212 0.76 LMNA (0.58) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL15589109 0.75 HSD11B1 (0.44) HTR3ASMN1; SMN2KMT2AMEN1CRBN
SCHEMBL15543239 0.75 KDM4E (0.57) HTR3ALMNASMN1; SMN2HTTSORD
SCHEMBL15542775 0.75 CYP1A2 (0.52) HTTSORDMAPTTSHRACACB
Hydrochloric Acid SCHEMBL4058879 0.75 HTR6 (0.52) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL15589508 0.74 HTR3A (0.51) HTR3ALMNASMN1; SMN2HTTSORD
SCHEMBL14305157 0.74 HTR3A (0.51) HTR3ALMNASMN1; SMN2HTTSORD

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 9 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-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
EP-2867221-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2015-05-06 EP 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 CHRNA7 2888/4885HTR3A 3352/4885LMNA 642/4885
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals RNGTT, GMPS, RNMT CHRNA7 3475/4885HTR3A 3831/4885LMNA 753/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 CHRNA7 483/4885HTR3A 180/4885LMNA 2852/4885

“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.