SCHEMBL17853014

SCHEMBL17853014

O=C(/C=C/c1ccc(Br)cc1)N1CC2(CCN(C(=O)C(F)(F)F)CC2)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 19/20 0.64
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL17838635 0.95 GPR183 (0.61) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL16600581 0.95 GPR183 (0.61) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL16600021 0.90 GPR183 (0.69) GPR183
SCHEMBL16599834 0.90 GPR183 (0.69) GPR183
SCHEMBL16614489 0.87 GPR183 (0.65) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL16600172 0.86 GPR183 (0.65) GPR183
SCHEMBL16600173 0.86 GPR183 (0.65) GPR183
SCHEMBL16599921 0.84 GPR183 (0.74) GPR183
SCHEMBL16599924 0.84 GPR183 (0.74) GPR183
SCHEMBL16600103 0.84 GPR183 (0.61) GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS Sanford Burnham Prebys Medical Discovery Institute 2016-06-23 — — US disclosed
US-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS Sanford Burnham Prebys Medical Discovery Institute 2016-06-23 — — 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-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS HAVCR2, BIRC2, ESR2 GPR183 17/4885ALDH1A1 3796/4885LMNA 2987/4885

“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.

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