SCHEMBL16599445

SCHEMBL16599445

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 15/20 0.78
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ACHE P22303 1/20 0.53

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
SCHEMBL16599446 1.00 GPR183 (0.78) GPR183NPC1RAB9ATDP1MEN1
SCHEMBL19412472 0.92 GPR183 (0.65) GPR183MEN1KMT2AACHE
SCHEMBL16598554 0.88 GPR183 (0.83) GPR183NPC1RAB9ATDP1MEN1
SCHEMBL16598557 0.88 GPR183 (0.83) GPR183NPC1RAB9ATDP1MEN1
SCHEMBL16598876 0.88 GPR183 (1.00) GPR183NPC1RAB9ATDP1MEN1
SCHEMBL16598879 0.88 GPR183 (1.00) GPR183NPC1RAB9ATDP1MEN1
SCHEMBL16614487 0.84 GPR183 (0.77) GPR183NPC1RAB9ATDP1MEN1
SCHEMBL19400207 0.83 ALDH1A1 (0.66) GPR183NPC1RAB9AMEN1KMT2A
SCHEMBL16598441 0.80 GPR183 (1.00) GPR183MEN1KMT2A
SCHEMBL16598439 0.80 GPR183 (1.00) GPR183MEN1KMT2A

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 9 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 claimed
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-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
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
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 22/4885NPC1 2095/4885RAB9A 1970/4885

“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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