SCHEMBL15543239

SCHEMBL15543239

CC(C)C1CN(c2ccc3ccccc3n2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HTR3E A5X5Y0 2/20 0.57
HTR3B O95264 2/20 0.57
CYP1A2 P05177 2/20 0.57
HTR3A P46098 2/20 0.57
HTR3D Q70Z44 2/20 0.57
HTR3C Q8WXA8 2/20 0.57
CYP3A4 P08684 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HTR1A P08908 2/20 0.57
SLC6A4 P31645 2/20 0.57
USP2 O75604 1/20 0.57
ADRB1 P08588 1/20 0.57
HTR2C P28335 1/20 0.57
MAPK1 P28482 1/20 0.57
HTR7 P34969 1/20 0.57
HTT P42858 1/20 0.57
HTR6 P50406 1/20 0.57

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
SCHEMBL5912678 0.83 KDM4E (0.63) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL3969056 0.83 KDM4E (0.63) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL5912806 0.83 KDM4E (0.63) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL15589509 0.83 HTR3A (0.51) KDM4EALDH1A1HTR3AHTTHRH4
SCHEMBL14305157 0.83 HTR3A (0.51) KDM4EALDH1A1HTR3AHTTHRH4
SCHEMBL15589508 0.83 HTR3A (0.51) KDM4EALDH1A1HTR3AHTTHRH4
SCHEMBL15589488 0.81 PRKCQ (0.61) PRKCQPRKCDHDAC1
SCHEMBL4779583 0.80 HTR3A (0.52) HTR3AHTTHRH4PRKCQPRKCD
SCHEMBL15543168 0.78 PRKCQ (0.47) HTR3AHTTPRKCQPRKCDHDAC1
SCHEMBL15589492 0.77 PRKCQ (0.54) PRKCQPRKCDHDAC1

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
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
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
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
WO-2014005129-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC. (US) 2014-01-03 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 (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-20150322045-A1 CYANOGUANIDINES AND USES THEREOF GMPS, RNGTT, RNMT KDM4E 3688/4885ALDH1A1 3960/4885HTR3E 4300/4885
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals RNGTT, GMPS, RNMT KDM4E 3291/4885ALDH1A1 4019/4885HTR3E 4546/4885

“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.