SCHEMBL5512425

SCHEMBL5512425

CCCC(CCCCCCl)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.64
AKR1A1 P14550 1/20 0.64
CHRM3 P20309 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
ADRA1A P35348 1/20 0.64
HRH1 P35367 1/20 0.64
DRD3 P35462 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
CA2 P00918 2/20 0.50
MAPK1 P28482 1/20 0.50
GRIK1 P39086 3/20 0.49
GRIK2 Q13002 3/20 0.49
SLC1A2 P43004 3/20 0.46
SLC1A1 P43005 3/20 0.46
SLC1A3 P43003 2/20 0.46
GPR84 Q9NQS5 3/20 0.44

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
SCHEMBL28696438 1.00 CHRM1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28684295 0.92 GRIK1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28705894 0.92 GRIK1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28775299 0.92 GRIK1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5508696 0.92 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL4309522 0.90 TDP1 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27901183 0.89 CHRM1 (0.80) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21628138 0.89 CHRM1 (0.80) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28725090 0.89 GRIK1 (0.51) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28696413 0.88 GRIK1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267168-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US claimed
CN-1200703-C Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2005-05-11 CN claimed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US claimed
CN-1322524-A Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2001-11-21 CN claimed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US claimed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP claimed
CN-1100408-A Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-03-22 CN claimed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP claimed
US-8569058-B2 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-7569608-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569609-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20070043114-A1 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
US-7176240-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
EP-1685832-A1 NERVE REGENERATION PROMOTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-02 EP disclosed
CN-1200703-C Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2005-05-11 CN 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-20050267168-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 CHRM1 93/4885AKR1A1 771/4885CHRM3 89/4885
US-20070043114-A1 Nerve regeneration promoters BDNF, NGF, GAP43 CHRM1 2671/4885AKR1A1 2042/4885CHRM3 2784/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 CHRM1 84/4885AKR1A1 976/4885CHRM3 129/4885

“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.