SCHEMBL6139868

SCHEMBL6139868

NC1CCN(c2ccc(C(=O)NCc3ccccc3)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
RAB9A P51151 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
KDM4E B2RXH2 2/20 0.67
MAPK1 P28482 1/20 0.67
NPC1 O15118 3/20 0.64
TSHR P16473 2/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
MAPK8 P45983 1/20 0.58
HSP90AA1 P07900 5/20 0.56
HSP90AB1 P08238 5/20 0.56
HPGD P15428 3/20 0.56
PKM P14618 1/20 0.56
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGDS O60760 3/20 0.53
HDAC1 Q13547 1/20 0.52

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
SCHEMBL1329883 0.84 ALDH1A1 (0.64) ALDH1A1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL1330190 0.84 RAB9A (0.67) ALDH1A1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL2430973 0.82 HSP90AA1 (0.74) ALDH1A1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL2430971 0.82 HSP90AA1 (0.74) ALDH1A1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL18272620 0.80 MAPK8 (0.63) ALDH1A1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL601333 0.79 HRH3 (0.54) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL3603575 0.77 SMO (0.79)
SCHEMBL1330690 0.77 SMN1; SMN2 (0.60) ALDH1A1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL6140027 0.76 HRH3 (0.58) ALDH1A1KDM4ELMNAKDM1A
SCHEMBL2494848 0.76 HDAC1 (0.56) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737509-B1 Antimicrobial compositions, methods of use, and methods of treatment of infections UNIVERSITY OF SOUTH FLORIDA (US) 2017-08-22 US disclosed
US-9737509-B1 Antimicrobial compositions, methods of use, and methods of treatment of infections UNIVERSITY OF SOUTH FLORIDA (US) 2017-08-22 US disclosed
WO-2016191412-A1 ANTIMICROBIAL COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT OF INFECTIONS UNIVERSITY OF SOUTH FLORIDA (US) 2016-12-01 WO disclosed
US-6852736-B2 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-02-08 US disclosed
US-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-06-05 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-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof CNR1, ADRB3, ADRB1 ALDH1A1 637/4885RAB9A 3589/4885SMN1; SMN2 2857/4885

“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.