SCHEMBL968115

SCHEMBL968115

Cn1c2c(c3cccnc31)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR6 P50406 4/20 0.39
FEN1 P39748 1/20 0.39
MCHR1 Q99705 8/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR5A P47898 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
NR2E1 Q9Y466 1/20 0.36

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
SCHEMBL24101662 0.90 HTR2A (0.59) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL30339574 0.90 HTR2A (0.59) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL21114798 0.88 HTR2A (0.47) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL17489603 0.82 HTR6 (0.39) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL17486946 0.82 HDAC1 (0.38) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL25846131 0.77 DDB1 (0.48) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL30339398 0.76 CYP1A2 (0.44) HTR2AHTR2CHTR6FEN1MCHR1
SCHEMBL24101726 0.76 CYP1A2 (0.44) HTR2AHTR2CHTR6FEN1MCHR1
SCHEMBL967629 0.75 HTR2C (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL21588318 0.74 MCHR1 (0.41) HTR2AHTR2CMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 US disclosed
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 US disclosed
WO-2019233883-A1 TETRAHYDROBENZOFURO[2,3-C]PYRIDINE AND BETA-CARBOLINE COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES AC IMMUNE SA (CH) 2019-12-12 WO disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
EP-2162451-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2010-03-17 EP disclosed
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 WO disclosed
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 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 (3 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-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates MAPT, MAP1LC3A, MAP1LC3B HTR2A 2941/4885HTR2C 3649/4885KDM4E 4066/4885
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates MAPT, PSEN2, PSEN1 HTR2A 3030/4885HTR2C 3776/4885KDM4E 4342/4885
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HTR2A 108/4885HTR2C 90/4885KDM4E 3037/4885

“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.