SCHEMBL4089872

SCHEMBL4089872

NNC(=O)CN1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
ALDH1A1 P00352 7/20 0.63
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.46
THRB P10828 1/20 0.44

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
SCHEMBL4080193 1.00 MAPT (0.64) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL2825299 0.98 MAPT (0.61) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL13687323 0.88 MAPT (0.48) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL3399852 0.81 CHRM5 (0.57) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL24003473 0.80 KDM4E (0.52) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL20881929 0.80 HSD17B10 (0.47) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL3669194 0.78 CHRM5 (0.59) MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL4410668 0.78 MAPT (1.00) MAPTALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL481833 0.78 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2KDM4EUSP2
SCHEMBL8613123 0.78 SIGMAR1 (0.51) MAPTALDH1A1SMN1; SMN2GAAPOLB

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329232-B Hydrazide derivative and application thereof 浙江大学 2021-04-16 CN disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
CN-107108638-A Piperidyl PyrazolopyrimidinonecGMP and application thereof 拜耳制药股份公司 2017-08-29 CN disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
US-20150031665-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2015-01-29 US disclosed
US-20150031659-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2015-01-29 US disclosed
US-20140315876-A1 BETA-LACTAMASE INHIBITORS CUBIST PHARMACEUTICALS, INC. 2014-10-23 US disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 US disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed
US-20020010174-A1 Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 US disclosed
WO-2001090083-A1 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed
WO-2001029021-A1 NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-2001029050-A2 CONDENSED PYRROLE DERIVATIVES AS NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-2001028979-A2 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-2001029020-A2 NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-2001028981-A1 1-CYCLOHEXENE-1-CARBOXYLIC ACID AND 1-CYCLOHEXENE-1-CARBOXYLATES AS NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-2001028996-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 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 (7 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-20150031665-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS BTD, BLVRB, PEPD MAPT 3656/4885ALDH1A1 167/4885SMN1; SMN2 2925/4885
US-20150031659-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS BTD, BLVRB, BBOX1 MAPT 3716/4885ALDH1A1 158/4885SMN1; SMN2 2946/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 MAPT 4541/4885ALDH1A1 404/4885SMN1; SMN2 3486/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 MAPT 4541/4885ALDH1A1 404/4885SMN1; SMN2 3486/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 1000/4885ALDH1A1 2864/4885SMN1; SMN2 4475/4885
US-20140315876-A1 BETA-LACTAMASE INHIBITORS LCT, BCHE, GANAB MAPT 3210/4885ALDH1A1 842/4885SMN1; SMN2 2833/4885
US-20020010174-A1 Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation BDKRB2, NPSR1, BDKRB1 MAPT 4885/4885ALDH1A1 1088/4885SMN1; SMN2 2558/4885

“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.