SCHEMBL3317404

SCHEMBL3317404

O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)N1CC(NC2CCc3cc(F)ccc32)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCR2 P41597 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE10A Q9Y233 2/20 0.38
PKM P14618 1/20 0.38
LIPE Q05469 1/20 0.38
MLNR O43193 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 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
SCHEMBL3314829 0.95 CCR3 (0.41) ALDH1A1CCR2MLNRRAB9ALMNA
SCHEMBL3313172 0.85 PARP10 (0.46) ALDH1A1SMN1; SMN2CCR2NPC1RAB9A
SCHEMBL3316461 0.82 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1PKMLIPE
SCHEMBL3315505 0.79 CCR2 (0.46) CCR2TRPV1PDE10A
SCHEMBL3313736 0.77 LTA4H (0.44) ALDH1A1SMN1; SMN2L3MBTL1PKMLIPE
SCHEMBL3317034 0.74 CCR2 (0.45) CCR2TRPV1PDE10A
SCHEMBL3313789 0.69 FAAH (0.46) ALDH1A1SMN1; SMN2RAB9AHPGDLMNA
SCHEMBL3313029 0.69 CCR2 (0.46) CCR2TRPV1
SCHEMBL3022615 0.67 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MLNRLMNATP53
SCHEMBL3316036 0.66 CCR2 (0.42) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 ALDH1A1 1255/4885SMN1; SMN2 784/4885CCR2 734/4885

“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.