SCHEMBL5409246

SCHEMBL5409246

O=C(O)CCN(CCCc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.48
POLB P06746 1/20 0.46
FFAR1 O14842 1/20 0.46
RAB9A P51151 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
PPARG P37231 2/20 0.43
SRC P12931 1/20 0.43
TP53 P04637 3/20 0.42
KCNA5 P22460 1/20 0.41
MAPT P10636 1/20 0.41
FOLH1 Q04609 1/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 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
SCHEMBL5402851 0.95 FFAR1 (0.47) LPAR1POLBFFAR1RAB9ACHRNB2
SCHEMBL5405996 0.93 CHRNB2 (0.44) LPAR1POLBRAB9ACHRNB2CHRNB4
SCHEMBL5392165 0.90 LMNA (0.53) LPAR1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL5399679 0.90 LPAR1 (0.47) LPAR1POLBFFAR1RAB9ACHRNB2
SCHEMBL5408340 0.90 ALDH1A1 (0.47) LPAR1POLBFFAR1RAB9ACHRNB2
SCHEMBL5406252 0.90 CHRNB2 (0.54) LPAR1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL5402281 0.88 HPGD (0.52) LPAR1POLBRAB9ACHRNB2CHRNB4
SCHEMBL5397160 0.88 APEX1 (0.47) POLBRAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL5400991 0.88 CHRNB2 (0.45) FFAR1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL5397644 0.87 MAPT (0.48) LPAR1RAB9ACHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 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 (1 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB LPAR1 17/4885POLB 527/4885FFAR1 65/4885

“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.