SCHEMBL16614489

SCHEMBL16614489

O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 19/20 0.65
▸ ALDH1A1 P00352 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ KCNH2 Q12809 2/20 0.56

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
SCHEMBL17853014 0.87 GPR183 (0.64) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL16600581 0.87 GPR183 (0.61) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL17838635 0.87 GPR183 (0.61) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL17954203 0.86 MAPT (0.71) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL16599159 0.86 GPR183 (0.65) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL16599161 0.86 GPR183 (0.65) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL31434991 0.82 GPR183 (0.69) GPR183ALDH1A1LMNATP53KCNH2
SCHEMBL6594560 0.82 GPR183 (0.69) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL6594557 0.82 GPR183 (0.69) GPR183ALDH1A1LMNATP53HPGD
SCHEMBL1580935 0.81 GAA (0.73) GPR183ALDH1A1KCNH2

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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 — — US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 — — US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 — — 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 (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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS GPR183 22/4885ALDH1A1 4277/4885LMNA 2951/4885

“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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