SCHEMBL16485461

SCHEMBL16485461

COc1cc(CN2CCN(C)CC2)ccc1CO

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 1/20 0.49
TLR8 Q9NR97 2/20 0.48
TGFBR1 P36897 1/20 0.48
ACVR1 Q04771 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL8225348 0.90 KMT2A (0.58) MEN1KMT2AKDM4ETP53MAPK1
SCHEMBL2601932 0.83 KMT2A (0.57) MEN1KMT2AKDM4ETP53MAPK1
SCHEMBL9996727 0.82 KDM4E (0.64) GAAKDM4E
SCHEMBL21550767 0.81 KMT2A (0.50) MEN1KMT2AGAATGFBR1ACVR1
SCHEMBL29725216 0.81 KMT2A (0.50) MEN1KMT2AGAATGFBR1ACVR1
SCHEMBL19111201 0.81 LMNA (0.50) KDM4E
SCHEMBL1911878 0.81 CRHBP (0.55) MEN1KMT2ATGFBR1ACVR1KDM4E
SCHEMBL17982847 0.80 GAA (0.56) MEN1KMT2AGAATGFBR1ACVR1
SCHEMBL21550472 0.79 HTT (0.56) GAATGFBR1ACVR1
SCHEMBL21565559 0.79 KMT2A (0.50) MEN1KMT2ATGFBR1ACVR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907805-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2020-07-22 EP disclosed
EP-2907805-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2020-07-22 EP disclosed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US disclosed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US disclosed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US disclosed
EP-2907805-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2015-08-19 EP disclosed
EP-2907805-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2015-08-19 EP disclosed
WO-2014057772-A1 NOVEL PYRAZOLE DERIVATIVE 株式会社ファルマエイト (JP) 2014-04-17 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-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, PSEN1, MAPT MEN1 4329/4885KMT2A 3488/4885GAA 724/4885
US-20150252029-A1 Novel Pyrazole Derivative PSEN2, PSEN1, MAPT MEN1 4329/4885KMT2A 3488/4885GAA 724/4885

“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.