SCHEMBL3075602

SCHEMBL3075602

CC(C)N1CCNCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM5 P08912 2/20 0.31
CHRM3 P20309 2/20 0.31
PIK3CD O00329 1/20 0.31
HTR2C P28335 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
LMNA P02545 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL761343 0.81 MAPT (0.33) MAPTGAATDP1
SCHEMBL1698490 0.81 MAPT (0.33) MAPTGAATDP1
SCHEMBL9200910 0.77
SCHEMBL105138 0.73
SCHEMBL1106503 0.71 CHRM2 (0.47) MAPTCHRM5CHRM3PIK3CDCA12
Ammonia Solution, Strong SCHEMBL28290304 0.71 LMNA (0.48) MAPTCHRM5CHRM3PIK3CDCA12
SCHEMBL2916060 0.71
SCHEMBL30232763 0.71 PIK3CD (0.61) CHRM5CHRM3PIK3CDHTR2CLMNA
Hydrochloric Acid SCHEMBL318568 0.70 CHRM2 (0.46) MAPTCHRM5CHRM3PIK3CDCA12
SCHEMBL319262 0.70 CHRM2 (0.46) MAPTGAATDP1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20230025178-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-01-26 US disclosed
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 US disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
US-8362005-B2 Monocyclic amide CGRP receptor antagonists Merk. Sharp & Dohme Corp. (US) 2013-01-29 US disclosed
US-8362005-B2 Monocyclic amide CGRP receptor antagonists Merk. Sharp & Dohme Corp. (US) 2013-01-29 US disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20110172205-A1 MONOCYCLIC AMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-07-14 US disclosed
US-20110172205-A1 MONOCYCLIC AMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-07-14 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 US disclosed
EP-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 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 (6 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-20230025178-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA MAPT 2666/4885GAA 953/4885TDP1 2403/4885
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAPT 2476/4885GAA 1757/4885TDP1 304/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 MAPT 2476/4885GAA 1757/4885TDP1 304/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP MAPT 89/4885GAA 1897/4885TDP1 139/4885
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 MAPT 136/4885GAA 2163/4885TDP1 65/4885
US-20110172205-A1 MONOCYCLIC AMIDE CGRP RECEPTOR ANTAGONISTS EDNRB, CCKBR, EDNRA MAPT 2841/4885GAA 2972/4885TDP1 3269/4885

“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.