SCHEMBL46213

SCHEMBL46213

c1cnc2[nH]c3c(c2c1)CCNC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.57
KDM4E B2RXH2 1/20 0.57
HTR5A P47898 1/20 0.57
NR2E1 Q9Y466 1/20 0.57
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR7 P34969 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Hydrochloric Acid SCHEMBL14892523 0.98 NISCH (0.55) NISCHKDM4EHTR5ANR2E1HTR2A
SCHEMBL30339480 0.89 HTR2A (0.56) NISCHKDM4EHTR5ANR2E1HTR2A
SCHEMBL24101668 0.89 HTR2A (0.56) NISCHKDM4EHTR5ANR2E1HTR2A
SCHEMBL961368 0.87 TAAR1 (0.55) NISCHKDM4EHTR5ANR2E1HTR2A
SCHEMBL6299491 0.78 PARP1 (0.50) KDM4EALOX15HSD17B10PARP1AURKA
SCHEMBL31447884 0.77 PARP1 (0.49) KDM4ELMNAALOX15HSD17B10PARP1
SCHEMBL997684 0.74 NISCH (0.45) NISCHKDM4EHTR5ANR2E1HTR2A
SCHEMBL997404 0.74 NISCH (0.57) NISCHKDM4EHTR5ANR2E1HTR2A
SCHEMBL31194280 0.74 NISCH (0.57) NISCHKDM4EHTR5ANR2E1HTR2A
SCHEMBL18597406 0.74 TRPV1 (0.39) KDM4EPARP1AURKAFEN1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630512-B2 Agents for differentiating stem cells and treating cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2026-05-19 US disclosed
EP-3600451-B1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2025-12-24 EP disclosed
US-12202799-B2 Agents for differentiating stem cells and treating cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2025-01-21 US disclosed
US-20240409515-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2024-12-12 US disclosed
US-20220242823-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2022-08-04 US disclosed
US-20210299109-A1 AGENTS FOR TREATING CANCER AND METHODS FOR IDENTIFYING SAID AGENTS MINERVA BIOTECHNOLOGIES CORPORATION 2021-09-30 US disclosed
US-20210087143-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2021-03-25 US disclosed
EP-3600451-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER Minerva Biotechnologies Corporation (US) 2020-02-05 EP disclosed
WO-2018183654-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2018-10-04 WO disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
EP-1886693-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-13 EP disclosed
EP-1829874-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1806148-A1 MEDICINAL COMPOSITION FOR INHALATION ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP disclosed
US-20070129327-A1 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1745800-A1 NOVEL BLT2-MEDIATED DISEASE, AND BLT2 BINDING AGENT AND COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-24 EP disclosed
EP-1707208-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-04 EP disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 EP 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 (9 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-20070129327-A1 Blood flow promoters for cauda equina tissues PTGFR, PTGIS, PTGIR NISCH 1244/4885KDM4E 3157/4885HTR5A 2634/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS NISCH 698/4885KDM4E 3424/4885HTR5A 1979/4885
US-20210299109-A1 AGENTS FOR TREATING CANCER AND METHODS FOR IDENTIFYING SAID AGENTS MCL1, CD44, EPCAM NISCH 4230/4885KDM4E 970/4885HTR5A 4628/4885
US-12202799-B2 Agents for differentiating stem cells and treating cancer MCL1, CD44, CRABP2 NISCH 4257/4885KDM4E 2543/4885HTR5A 4589/4885
US-20210087143-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 NISCH 4257/4885KDM4E 2543/4885HTR5A 4589/4885
US-12630512-B2 Agents for differentiating stem cells and treating cancer MCL1, POU2F1, NES NISCH 4532/4885KDM4E 1753/4885HTR5A 3670/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 NISCH 953/4885KDM4E 2001/4885HTR5A 1000/4885
US-20240409515-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 NISCH 4257/4885KDM4E 2543/4885HTR5A 4589/4885
US-20220242823-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 NISCH 4257/4885KDM4E 2543/4885HTR5A 4589/4885

“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.