SCHEMBL3087078

SCHEMBL3087078

O=C1CNCC2CCCCN12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
GAA P10253 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
BRCA1 P38398 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL18689264 1.00 HTR6 (0.41) HTR6NOS3NOS1GAAMEN1
SCHEMBL3080507 1.00 HTR6 (0.41) HTR6NOS3NOS1GAAMEN1
SCHEMBL24087197 0.98 HTR6 (0.40) HTR6NOS3NOS1GAAMEN1
SCHEMBL21946138 0.98 HTR6 (0.40) HTR6NOS3NOS1GAAMEN1
SCHEMBL2890715 0.94 NOS1 (0.44) HTR6NOS3NOS1GAAMEN1
SCHEMBL337466 0.94 NOS1 (0.44) HTR6NOS3NOS1GAAMEN1
SCHEMBL337898 0.94 NOS1 (0.44) HTR6NOS3NOS1GAAMEN1
Hydrochloric Acid SCHEMBL16967077 0.92 NOS1 (0.42) HTR6NOS3NOS1GAAMEN1
Hydrochloric Acid SCHEMBL16967078 0.92 NOS1 (0.42) HTR6NOS3NOS1GAAMEN1
SCHEMBL12342202 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP claimed
CN-118005640-A GCN2 inhibitors and uses thereof 默克专利股份有限公司 2024-05-10 CN disclosed
CN-111918651-B GCN2 inhibitors and uses thereof 默克专利股份有限公司 2024-01-30 CN disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
CN-110691784-B Compounds for inhibiting MCL-1 protein 美国安进公司 2023-03-31 CN disclosed
EP-3601297-B1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2022-10-19 EP disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-11053215-B2 Heterocyclic compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2021-07-06 US disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
WO-2017158151-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
US-20170096411-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-04-06 US disclosed
WO-2017025899-A1 NOVEL C28-AMIDES WITH C3-MODIFICATIONS OF TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-02-16 WO disclosed
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP 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-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
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 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 (5 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-10821115-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 HTR6 4329/4885NOS3 3598/4885NOS1 2390/4885
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 HTR6 1330/4885NOS3 3504/4885NOS1 3990/4885
US-11053215-B2 Heterocyclic compounds useful as Pim kinase inhibitors PIM1, PIM2, PIM3 HTR6 4005/4885NOS3 2832/4885NOS1 2769/4885
US-20170096411-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 HTR6 4005/4885NOS3 2832/4885NOS1 2769/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 HTR6 4334/4885NOS3 3530/4885NOS1 2338/4885

“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.