SCHEMBL16409571

SCHEMBL16409571

NCc1cc(F)cc(-c2cc(OC[C@H]3CCCO3)cc(C(=O)Nc3ccccc3CC(=O)O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 7/20 0.48
▸ SUCNR1 Q9BXA5 7/20 0.48
▸ F11 P03951 2/20 0.48
▸ TPSB2 P20231 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 4/20 0.43
▸ ROCK2 O75116 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPC1 O15118 2/20 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
SCHEMBL16410450 1.00 CFD (0.48) CFDSUCNR1F11TPSB2SMN1; SMN2
SCHEMBL16403613 0.91 CFD (0.61) CFDSUCNR1F11TPSB2SMN1; SMN2
SCHEMBL16403586 0.91 CFD (0.61) CFDSUCNR1F11TPSB2SMN1; SMN2
SCHEMBL17772668 0.90 SMN1; SMN2 (0.43) CFDSMN1; SMN2MAPTRAB9AROCK2
SCHEMBL17764302 0.87 SUCNR1 (0.43) SUCNR1SMN1; SMN2MAPTRAB9ALMNA
SCHEMBL17802755 0.85 SUCNR1 (0.51) CFDSUCNR1F11TPSB2SMN1; SMN2
SCHEMBL17764307 0.85 CFD (0.49) CFDSUCNR1F11TPSB2SMN1; SMN2
SCHEMBL17764531 0.85 CFD (0.49) CFDSUCNR1F11TPSB2SMN1; SMN2
SCHEMBL16410291 0.85 CFD (0.49) CFDSUCNR1F11TPSB2SMN1; SMN2
SCHEMBL16403609 0.82 SUCNR1 (0.56) CFDSUCNR1F11TPSB2

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 4 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
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 CFD 1/4885SUCNR1 4670/4885F11 17/4885

“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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