SCHEMBL16680229

SCHEMBL16680229

O=C(O)C[C@H](c1ccc(F)cc1)N1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 3/20 0.49
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNA1C Q13936 1/20 0.45
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MC4R P32245 3/20 0.43
MC1R Q01726 1/20 0.43
FFAR1 O14842 1/20 0.42
CCR3 P51677 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL16680230 1.00 CYP1A2 (0.50) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL16679788 0.97 CYP1A2 (0.54) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL16679790 0.97 CYP1A2 (0.54) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL16680291 0.95 CYP1A2 (0.56) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL16680290 0.95 CYP1A2 (0.56) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL7592799 0.81 CYP1A2 (0.71) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL8207312 0.81 TP53 (0.53) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL4855890 0.80 CYP1A2 (0.74) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL28981205 0.75 TP53 (0.52) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL68253 0.73 FFAR1 (0.58) CYP1A2CYP2C9HPGDCYP2C19CACNA2D1

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 2599/4885CYP2C9 2266/4885HPGD 1821/4885

“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.