SCHEMBL13470658

SCHEMBL13470658

Fc1cc(Br)ccc1CCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ PDPK1 O15530 1/20 0.49
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR2A P28223 2/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ MAOA P21397 1/20 0.41
▸ HTR2C P28335 1/20 0.40
▸ PLAAT3 P53816 1/20 0.39
▸ PLAAT5 Q96KN8 1/20 0.39
▸ PLAAT2 Q9NWW9 1/20 0.39
▸ PLAAT4 Q9UL19 1/20 0.39

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
SCHEMBL12811048 0.89 NPC1 (0.51) NPC1PDPK1MAPTSMN1; SMN2MEN1
SCHEMBL13464693 0.83 ESR1 (0.41) NPC1PDPK1CYP1A2HTR2AHDAC1
SCHEMBL13464614 0.83 TAAR1 (0.47) NPC1PDPK1HTR2CMAPK1PYCR1
SCHEMBL8218714 0.80 ALOX5 (0.47) NPC1PDPK1MAPTSMN1; SMN2MEN1
SCHEMBL13464688 0.80 TAAR1 (0.46) NPC1PDPK1MAPTKDM1APYCR1
SCHEMBL29979930 0.79 MAOB (0.44) NPC1SMN1; SMN2HTR2AMAOAPLAAT3
SCHEMBL29481487 0.77 TAAR1 (0.56) SMN1; SMN2KMT2AHTR2AMAOASIGMAR1
SCHEMBL12040567 0.77 HTR2A (0.55) MAPTMEN1KMT2AHTR2AMAOA
SCHEMBL8828 0.77 CA2 (0.54) NPC1PDPK1KDM1APYCR1
SCHEMBL1310562 0.77 PDPK1 (0.42) NPC1PDPK1KDM1APYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697212-B1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN INC (US) 2015-09-09 — — EP disclosed
EP-2697212-B1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN INC (US) 2015-09-09 — — EP disclosed
US-8653050-B2 Phenyl bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-02-18 — — US disclosed
US-8653050-B2 Phenyl bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-02-18 — — US disclosed
US-8541582-B2 Phenyl bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2013-09-24 — — US disclosed
US-8541582-B2 Phenyl bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2013-09-24 — — US disclosed
US-20120264716-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2012-10-18 — — US disclosed
US-20120264716-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2012-10-18 — — 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-20120264716-A1 PHENYL BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 NPC1 159/4885PDPK1 198/4885MAPT 2156/4885

“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.

Send feedback