SCHEMBL17465252

SCHEMBL17465252

CC(C)c1ccc(CN2CCCN(C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHKA P35790 10/20 0.71
CA2 P00918 1/20 0.67
NCF1 P14598 1/20 0.67
PRMT6 Q96LA8 1/20 0.67
KDM4E B2RXH2 2/20 0.60
LMNA P02545 1/20 0.60
HRH3 Q9Y5N1 1/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MC4R P32245 1/20 0.54
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL6894415 0.93 LMNA (0.68) CHKACA2NCF1PRMT6KDM4E
SCHEMBL4547912 0.90 ALDH1A1 (0.59) CHKACA2NCF1PRMT6KDM4E
SCHEMBL26378176 0.89 CHKA (0.68) CHKACA2NCF1PRMT6LMNA
SCHEMBL19192976 0.88 CHKA (0.68) CHKACA2NCF1PRMT6KDM4E
SCHEMBL14846685 0.88 CHKA (0.68) CHKACA2NCF1PRMT6KDM4E
SCHEMBL4547890 0.86 HRH3 (0.65) NCF1KDM4EHRH3ALDH1A1HTT
SCHEMBL2056181 0.85 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL11139655 0.84 HRH3 (0.69) NCF1KDM4EHRH3ALDH1A1HTT
SCHEMBL12834843 0.83 LMNA (0.86) CHKACA2NCF1PRMT6KDM4E
SCHEMBL16121577 0.83 CHKA (1.00) CHKACA2NCF1PRMT6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 US disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 US disclosed
US-9846160-B2 Ganglioside GD2 as a marker and target on cancer stem cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-12-19 US disclosed
US-9846160-B2 Ganglioside GD2 as a marker and target on cancer stem cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-12-19 US disclosed
US-9834521-B2 Choline kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834521-B2 Choline kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160024024-A1 Novel Choline Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2016-01-28 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 (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-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK CHKA 2886/4885CA2 1782/4885NCF1 2311/4885
US-20160024024-A1 Novel Choline Kinase Inhibitors CHKA, CHKB, CEPT1 CHKA 1/4885CA2 1344/4885NCF1 1251/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK CHKA 2886/4885CA2 1782/4885NCF1 2311/4885

“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.