SCHEMBL6043633

SCHEMBL6043633

COCCCCOc1cc(CN2CCN(C)CC2)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 1/20 0.48
MAOB P27338 7/20 0.46
MAOA P21397 3/20 0.45
HRH3 Q9Y5N1 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHEK1 O14757 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43

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
SCHEMBL6043599 0.91 MEN1 (0.50) HRH3MEN1KMT2APOLB
SCHEMBL6948249 0.90 TP53 (0.47) RAB9ANPC1TP53HPGDMAOB
SCHEMBL6043781 0.90 CHKA (0.48) RAB9ANPC1TP53HPGDMAOB
SCHEMBL6043491 0.89 MEN1 (0.52) HRH3MEN1KMT2APOLB
SCHEMBL6044203 0.89 HRH3 (0.49) TP53MAOBMAOAHRH3MEN1
SCHEMBL6042858 0.87 TSHR (0.53) RAB9ANPC1TP53HPGDCHEK1
SCHEMBL17011749 0.85 KMT2A (0.54) TP53PKMMEN1KMT2AALDH1A1
SCHEMBL6043529 0.80 KMT2A (0.49) HRH3CHEK1MEN1KMT2AKDM4E
SCHEMBL6043654 0.79 KMT2A (0.51) HRH3CHEK1MEN1KMT2AKDM4E
SCHEMBL6043682 0.79 HRH3 (0.48) TP53MAOBMAOAHRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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 (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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 RAB9A 2414/4885NPC1 2706/4885TP53 1771/4885

“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.