SCHEMBL16397063

SCHEMBL16397063

COC(=O)Cc1ccccc1OCc1cc(Br)cc(OC[C@H]2CCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.46
▸ CCR5 P51681 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL16397062 1.00 HPGD (0.46) HPGDCCR5MAPTGAANPC1
SCHEMBL16396667 0.91 CCR5 (0.41) HPGDCCR5MAPTGAANPC1
SCHEMBL16396665 0.91 CCR5 (0.41) HPGDCCR5MAPTGAANPC1
SCHEMBL16396361 0.90 CCR5 (0.47) HPGDCCR5MAPTGAAALDH1A1
SCHEMBL16396354 0.86 CFD (0.40) MEN1KMT2A
SCHEMBL16410212 0.84 HPGD (0.42) HPGDCCR5MAPTGAANPC1
SCHEMBL16396379 0.80 ABCB1 (0.52) MEN1KMT2A
SCHEMBL16397786 0.80 SMN1; SMN2 (0.53) HPGDMAPTNPC1RAB9ACASP3
SCHEMBL16397386 0.80 SMN1; SMN2 (0.53) HPGDMAPTNPC1RAB9ACASP3
SCHEMBL16397388 0.80 SMN1; SMN2 (0.53) HPGDMAPTNPC1RAB9ACASP3

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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 — — EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — WO disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB HPGD 1155/4885CCR5 1110/4885MAPT 3865/4885

“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