SCHEMBL16680290

SCHEMBL16680290

O=C(O)C[C@H](c1ccc(F)cc1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 3/20 0.54
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ACHE P22303 2/20 0.44
MC4R P32245 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CCR3 P51677 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNB1 Q02641 1/20 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
SCHEMBL16680291 1.00 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9HPGDMAPK1
SCHEMBL16679788 0.98 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9HPGDMAPK1
SCHEMBL16679790 0.98 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9HPGDMAPK1
SCHEMBL16680230 0.95 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9HPGDMAPK1
SCHEMBL16680229 0.95 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9HPGDMAPK1
SCHEMBL8207312 0.86 TP53 (0.53) CYP1A2CYP2C19CYP2C9HPGDMAPK1
SCHEMBL4855890 0.85 CYP1A2 (0.74) CYP1A2CYP2C19CYP2C9HPGDMAPK1
SCHEMBL7592799 0.83 CYP1A2 (0.71) CYP1A2CYP2C19CYP2C9HPGDMAPK1
SCHEMBL28981205 0.80 TP53 (0.52) CYP1A2CYP2C19CYP2C9HPGDMAPK1
SCHEMBL2171115 0.76 GAA (0.70) TP53LMNARAB9AALDH1A1ACHE

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-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 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 (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-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI CYP1A2 2599/4885CYP2C19 1517/4885CYP2C9 2266/4885

“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.