SCHEMBL1709022

SCHEMBL1709022

CN1CCC(B(O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
QDPR P09417 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL31250031 0.84
SCHEMBL15942713 0.81 NCF1 (0.37) NCF1QDPR
SCHEMBL20090609 0.75 NCF1 (0.33) NCF1QDPR
SCHEMBL24978889 0.72
SCHEMBL19708643 0.72 SMN1; SMN2 (0.47)
SCHEMBL31579419 0.71
SCHEMBL9068 0.71
Ammonia Solution, Strong SCHEMBL17373802 0.68
SCHEMBL28753807 0.68
Water SCHEMBL664011 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
US-11566016-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-31 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-111171063-B Process method for synthesizing N-substituted piperidine-4-boric acid 大连双硼医药化工有限公司 2022-06-14 CN disclosed
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2022-01-13 US disclosed
US-11149020-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-10-19 US disclosed
CN-111171063-A Process method for synthesizing N-substituted piperidine-4-boric acid 大连双硼医药化工有限公司 2020-05-19 CN disclosed
US-10428047-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-10-01 US disclosed
WO-2018072697-A1 OXADIAZOLE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITE, AND APPLICATION THEREOF 上海医药集团股份有限公司 2018-04-26 WO disclosed
US-20170369472-A1 MAP KINASE MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-28 US disclosed
US-9783525-B2 Map kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-10-10 US disclosed
US-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-05-12 US disclosed
US-8802119-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-8541581-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-8541581-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-20120088738-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS ,INC (US) 2012-04-12 US disclosed
US-20120088738-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS ,INC (US) 2012-04-12 US disclosed
WO-2010118159-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-10-14 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 (8 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-10428047-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 NCF1 3712/4885QDPR 4291/4885ALDH1A1 2033/4885
US-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 NCF1 3712/4885QDPR 4291/4885ALDH1A1 2033/4885
US-20120088738-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, CES1 NCF1 1574/4885QDPR 1251/4885ALDH1A1 330/4885
US-20170369472-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 NCF1 3712/4885QDPR 4291/4885ALDH1A1 2033/4885
US-11566016-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 NCF1 3712/4885QDPR 4291/4885ALDH1A1 2033/4885
US-11149020-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 NCF1 3712/4885QDPR 4291/4885ALDH1A1 2033/4885
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF MITF, PRKDC, PRKACA NCF1 2391/4885QDPR 3788/4885ALDH1A1 3047/4885
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 NCF1 3712/4885QDPR 4291/4885ALDH1A1 2033/4885

“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.