SCHEMBL18262102

SCHEMBL18262102

O=C(O)N1CCCC(OCCI)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 3/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.34
NPC1 O15118 7/20 0.34
RAB9A P51151 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
VNN1 O95497 1/20 0.31

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
SCHEMBL16414760 0.85 TAAR1 (0.45) TAAR1LMNAMAPK1KMT2ANPC1
SCHEMBL18669295 0.84 TAAR1 (0.44) TAAR1LMNAMAPK1KMT2ANPC1
SCHEMBL16528692 0.84 TAAR1 (0.44) TAAR1LMNAMAPK1KMT2ANPC1
SCHEMBL4433970 0.83 TAAR1 (0.46) TAAR1LMNAMAPK1KMT2ANPC1
SCHEMBL27821847 0.80 TAAR1 (0.42) TAAR1LMNAMAPK1NPC1RAB9A
SCHEMBL7291396 0.80 TAAR1 (0.40) TAAR1LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4433472 0.80 TAAR1 (0.46) TAAR1LMNAMAPK1KMT2ANPC1
SCHEMBL4433475 0.80 TAAR1 (0.46) TAAR1LMNAMAPK1KMT2ANPC1
SCHEMBL16993195 0.80 MEN1 (0.50) TAAR1KMT2AALDH1A1
SCHEMBL31691616 0.77 TAAR1 (0.41) TAAR1LMNAMAPK1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298011-B1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2021-11-17 EP disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 US disclosed
EP-3298011-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-03-28 EP disclosed
WO-2016191172-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-01 WO 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-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 TAAR1 4866/4885LMNA 3513/4885MAPK1 1681/4885

“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.