SCHEMBL16598631

SCHEMBL16598631

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ GPR183 P32249 8/20 0.64
▸ CCR2 P41597 3/20 0.50
▸ ITGB2 P05107 2/20 0.50
▸ ICAM1 P05362 2/20 0.50
▸ ITGAL P20701 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GAA P10253 1/20 0.49

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
SCHEMBL16598979 1.00 NPC1 (0.66) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL4519049 0.81 NPC1 (0.73) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL4519044 0.81 NPC1 (0.73) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL16614487 0.81 GPR183 (0.77) NPC1RAB9ATDP1GPR183
SCHEMBL4559427 0.80 NPC1 (0.67) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL4559426 0.80 NPC1 (0.67) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL10459440 0.80 RAB9A (1.00) NPC1RAB9ATDP1GPR183ITGB2
SCHEMBL16599159 0.80 GPR183 (0.65) NPC1RAB9AGPR183MAPTSMN1; SMN2
SCHEMBL17954203 0.80 MAPT (0.71) NPC1RAB9AGPR183MAPTSMN1; SMN2
SCHEMBL10459439 0.80 RAB9A (1.00) NPC1RAB9ATDP1GPR183ITGB2

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 6 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
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 NPC1 2095/4885RAB9A 1970/4885TDP1 3593/4885

“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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