SCHEMBL3314829

SCHEMBL3314829

O=C(Cc1ccc(Oc2ccccc2)cc1)N1CC(NC2CCc3cc(F)ccc32)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.41
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
NPY5R Q15761 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 2/20 0.39
CCR8 P51685 1/20 0.39
POLB P06746 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
FAAH O00519 1/20 0.38
CCR2 P41597 1/20 0.38
MLNR O43193 1/20 0.38

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
SCHEMBL3317404 0.95 ALDH1A1 (0.40) LMNAALDH1A1RAB9ATP53POLB
SCHEMBL3313172 0.81 PARP10 (0.46) LMNAALDH1A1RAB9ACCR2
SCHEMBL3315505 0.78 CCR2 (0.46) CCR2
SCHEMBL3316461 0.77 L3MBTL1 (0.41) LTA4HEPHX2ALDH1A1POLBMLNR
SCHEMBL3313736 0.77 LTA4H (0.44) LTA4HEPHX2LMNAALDH1A1RAB9A
SCHEMBL3313789 0.76 FAAH (0.46) NPY5RLMNAALDH1A1RAB9ATPSAB1
SCHEMBL3317034 0.72 CCR2 (0.45) NPY5RCCR2
SCHEMBL3313029 0.69 CCR2 (0.46) CCR2
SCHEMBL3318035 0.69 FAAH (0.53) LTA4HLMNAALDH1A1RAB9APOLB
SCHEMBL3317869 0.69 HRH3 (0.47) NPY5RLMNAALDH1A1RAB9ATPSAB1

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 CCR3 919/4885LTA4H 642/4885EPHX2 1305/4885

“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.