SCHEMBL3072128

SCHEMBL3072128

O=C(O)N1CCC(c2ccc(OCCCOc3ccc(F)c(F)c3)cc2)C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
NPC1 O15118 2/20 0.36
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL3066821 0.89 SMN1; SMN2 (0.47) KDM1AMEN1KMT2ADRD2DRD1
SCHEMBL3084251 0.88 MEN1 (0.40) KDM1AMEN1KMT2ADRD2DRD1
SCHEMBL3079723 0.88 SMN1; SMN2 (0.39) KDM1AMEN1KMT2ADRD2DRD1
SCHEMBL3081651 0.88 KDM1A (0.43) KDM1AMEN1KMT2AALDH1A1RAB9A
SCHEMBL3193386 0.87 RAB9A (0.45) KDM1AMEN1KMT2AALDH1A1RAB9A
SCHEMBL3209636 0.86 RAB9A (0.39) KDM1AMEN1KMT2AALDH1A1RAB9A
SCHEMBL3076903 0.86 GPR119 (0.54) GPR119
SCHEMBL3080291 0.86 KDM1A (0.41) KDM1AMEN1KMT2AHTR2AALDH1A1
SCHEMBL3074223 0.85 HPGD (0.43) MEN1KMT2AALDH1A1RAB9AGAA
SCHEMBL3080397 0.85 HRH3 (0.48) ALDH1A1FFAR1PPARGPPARDHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 KDM1A 3515/4885MEN1 2817/4885KMT2A 3839/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KDM1A 3515/4885MEN1 2817/4885KMT2A 3839/4885

“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.