SCHEMBL266433

SCHEMBL266433

CCN(CC)CCN(C)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.47
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
QSOX1 O00391 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ACHE P22303 1/20 0.41
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ESR2 Q92731 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 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
SCHEMBL5790924 0.92 SERPINE1 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL15433136 0.91 MAPT (0.42) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL267726 0.91 ACHE (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL268461 0.84 MAPT (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL268460 0.84 MAPT (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL267951 0.84 BCHE (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL267832 0.83 MAPT (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL267833 0.83 MAPT (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL268631 0.83 ALDH1A1 (0.42) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL268630 0.83 ALDH1A1 (0.42) NPC1RAB9AKMT2AMEN1ALDH1A1

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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 US disclosed
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 EP 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 (2 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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 HTR6 2560/4885NPC1 102/4885RAB9A 883/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 HTR6 2555/4885NPC1 115/4885RAB9A 1362/4885

“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.