SCHEMBL398118

SCHEMBL398118

C1CCC2CNCCN2CC1

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.96
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
L3MBTL3 Q96JM7 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
SLC18A3 Q16572 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL8502194 1.00 HTR6 (0.96) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL8501091 1.00 HTR6 (0.96) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL8499402 1.00 HTR6 (0.96) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL8503565 1.00 HTR6 (0.96) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL65291 0.98 HTR6 (1.00) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL3522066 0.98 HTR6 (1.00) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL1190916 0.98 HTR6 (1.00) HTR6HRH3KMT2AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL20522843 0.96 HTR6 (0.96) HTR6HRH3KMT2AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL63700 0.96 HTR6 (0.96) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL6314141 0.94 HTR6 (0.92) HTR6HRH3KMT2AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 US disclosed
US-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 US disclosed
EP-3012249-A1 COMPOUNDS AND COMPOSITION AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2016-04-27 EP disclosed
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
WO-2015090233-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO disclosed
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-04-16 US disclosed
US-8957081-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2015-02-17 US disclosed
EP-1513842-A1 SUBSTITUTED HEXAHYDROPYRROLO (1,2-A)PYRAZINES, OCTAHYDROPYRIDO(1,2-A)PYRAZINES AND DECAHYDROPYRAZINO(1,2-A)AZEPINES NOVO NORDISK A/S (DK) 2005-03-16 EP disclosed
EP-1513842-A1 SUBSTITUTED HEXAHYDROPYRROLO (1,2-A)PYRAZINES, OCTAHYDROPYRIDO(1,2-A)PYRAZINES AND DECAHYDROPYRAZINO(1,2-A)AZEPINES NOVO NORDISK A/S (DK) 2005-03-16 EP disclosed
US-20040023946-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines VTVX HOLDINGS II LLC 2004-02-05 US disclosed
US-20040023946-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines VTVX HOLDINGS II LLC 2004-02-05 US disclosed
US-20040023946-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines VTVX HOLDINGS II LLC 2004-02-05 US disclosed
WO-2003104235-A1 SUBSTITUTED HEXAHYDROPYRROLO[1,2-A]PYRAZINES, OCTAHYDROPYRIDO[1,2-A]PYRAZINES AND DECAHYDROPYRAZINO[1,2-A]AZEPINES NOVO NORDISK A/S (DK) 2003-12-18 WO disclosed
WO-2003104235-A1 SUBSTITUTED HEXAHYDROPYRROLO[1,2-A]PYRAZINES, OCTAHYDROPYRIDO[1,2-A]PYRAZINES AND DECAHYDROPYRAZINO[1,2-A]AZEPINES NOVO NORDISK A/S (DK) 2003-12-18 WO disclosed
US-4128427-A Silver halide emulsions containing polymeric color couplers AGFA-GEVAERT, N.V. (BE) 1978-12-05 US disclosed
US-4083976-A SPASMOLYTIC, CORONARY-DILATANT LIKHOSHERSTOV ARKADY MIKHAILOV 1978-04-11 US disclosed
US-3998820-A 4-DIAZABICYCLO-4,M,O-ALKANYL-ACYL)-PHENOTHIAZINES, THEIR ACIDIC ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR PRODUCING SAME AND USESPASMOLYTICS; CORONARY DILATANTS LIKHOSHERSTOV ARKADY MIKHAILOV 1976-12-21 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 (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-20040023946-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines HRH2, HRH4, HRH1 HTR6 119/4885HRH3 4/4885KMT2A 632/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B HTR6 915/4885HRH3 2355/4885KMT2A 462/4885
US-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 HTR6 4329/4885HRH3 4690/4885KMT2A 1644/4885
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 HTR6 3647/4885HRH3 2526/4885KMT2A 3404/4885
US-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 HTR6 4329/4885HRH3 4690/4885KMT2A 1644/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 HTR6 4334/4885HRH3 4697/4885KMT2A 1649/4885

“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.