SCHEMBL4322189

SCHEMBL4322189

CC1=C(C(=O)O)C(c2ccc(F)cc2F)CC(=O)N1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.69
GPBAR1 Q8TDU6 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
IDO1 P14902 2/20 0.42
LMNA P02545 1/20 0.41
GPR39 O43194 1/20 0.41

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
SCHEMBL3883649 0.87 GPBAR1 (0.69) TP53GPBAR1SMN1; SMN2TSHRMAPT
SCHEMBL3892730 0.86 TP53 (0.76) TP53GPBAR1SMN1; SMN2PKMTSHR
SCHEMBL3886598 0.85 TP53 (0.53) TP53GPBAR1SMN1; SMN2PKMTSHR
SCHEMBL3898543 0.82 TP53 (0.67) TP53GPBAR1SMN1; SMN2PKMTSHR
SCHEMBL14587506 0.81 GPBAR1 (0.82) TP53GPBAR1SMN1; SMN2PKMTSHR
SCHEMBL3342133 0.81 LMNA (0.58) TP53GPBAR1PKMLMNA
SCHEMBL14619733 0.80 TP53 (0.66) TP53GPBAR1SMN1; SMN2PKMTSHR
SCHEMBL7928701 0.77 ADRA1A (0.52) TP53GPBAR1LMNA
SCHEMBL8004288 0.77 ADRA1A (0.52) TP53GPBAR1LMNA
SCHEMBL5661329 0.77 ADRA1A (0.52) TP53GPBAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 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 (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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R TP53 4604/4885GPBAR1 110/4885SMN1; SMN2 1266/4885
US-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 TP53 3036/4885GPBAR1 2826/4885SMN1; SMN2 3861/4885

“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.