SCHEMBL3200413

SCHEMBL3200413

CCCN(CC)C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
KCNH2 Q12809 1/20 0.41
FDPS P14324 2/20 0.40
SLC6A9 P48067 1/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 2/20 0.33
FFAR3 O14843 1/20 0.33

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
SCHEMBL7904494 1.00 HTR2A (0.41) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL2204496 0.91 FDPS (0.43) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL755798 0.91 FDPS (0.43) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL6449892 0.87 CA12 (0.39) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL304130 0.85 HTR2A (0.52) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL10207211 0.85 HTR2A (0.52) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL172237 0.85 HTR2A (0.52) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL27277859 0.84 HTR2A (0.40) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL8916492 0.84 FDPS (0.39) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL28703782 0.84 ACE2 (0.43) TDP1ACE2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
US-6201119-B1 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-13 US disclosed
US-5371079-A Administering to inhibit replication of HIV-1 in human cells JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-06 US disclosed
US-5270464-A Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-14 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 (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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HTR2A 2605/4885HRH1 1828/4885PGR 4773/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 HTR2A 4442/4885HRH1 1776/4885PGR 3211/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HTR2A 2552/4885HRH1 1805/4885PGR 4672/4885

“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.