SCHEMBL12976558

SCHEMBL12976558

CC(=O)N1CCN(CCOCCO)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.51
▸ HTR1A P08908 1/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ CYP1A2 P05177 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NAMPT P43490 2/20 0.43
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ SIGMAR1 Q99720 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM1A O60341 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL18362307 0.86 NAMPT (0.43) DRD3HTR1ASMN1; SMN2NAMPTSIGMAR1
SCHEMBL3553321 0.84 NAMPT (0.44) DRD3HTR1ATDP1SMN1; SMN2NAMPT
SCHEMBL12438166 0.84 DRD3 (0.53) DRD3PIK3CDCYP1A2TDP1CYP4F2
SCHEMBL1781792 0.83 DRD3 (0.54) DRD3HTR1ATDP1SMN1; SMN2NAMPT
SCHEMBL4905012 0.82 HTR1A (0.54) DRD3HTR1ASMN1; SMN2NAMPTSIGMAR1
SCHEMBL8966405 0.82 — —
SCHEMBL16507931 0.82 NAMPT (0.43) DRD3HTR1ASMN1; SMN2NAMPTSIGMAR1
SCHEMBL15435923 0.82 NAMPT (0.43) DRD3HTR1ATDP1SMN1; SMN2NAMPT
SCHEMBL8404633 0.81 HRH2 (0.45) DRD3HTR1ASMN1; SMN2NAMPTCYP2D6
SCHEMBL15610518 0.81 POLB (0.52) DRD3HTR1ASMN1; SMN2NAMPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 — — US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 — — US disclosed
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 — — WO disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 — — US disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 — — US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 — — US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 — — US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 — — 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 (2 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 DRD3 2176/4885HTR1A 414/4885PIK3CD 4795/4885
US-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 DRD3 170/4885HTR1A 419/4885PIK3CD 4159/4885

“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.

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