SCHEMBL6330675

SCHEMBL6330675

CCc1csc(-c2ccc(OCCN)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
MAPT P10636 4/20 0.57
NPC1 O15118 3/20 0.57
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.46
ATP4A P20648 10/20 0.45
ATP4B P51164 10/20 0.45
MAPK1 P28482 1/20 0.45
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL6329450 0.82 AOC3 (0.61) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL6329780 0.80 SREBF2 (0.68) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL6328335 0.78 ATP4A (0.67) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL6330952 0.78 ATP4A (0.67) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL6338054 0.78 ATP4A (0.67) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL6336660 0.76 MAPT (0.46) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL6330664 0.76 ATP4A (0.66) RAB9AMAPTMEN1KMT2AATP4A
SCHEMBL6409439 0.76 RAB9A (0.62) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL17130336 0.75 RAB9A (0.58) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL3071916 0.74 KDM4E (0.72) RAB9AMAPTNPC1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC 2005-04-07 US claimed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US claimed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP claimed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US claimed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 WO claimed
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC 2005-04-07 US disclosed
US-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 US disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US disclosed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP disclosed
US-6566377-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-05-20 US disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US disclosed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 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 (3 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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 RAB9A 1113/4885MAPT 4036/4885NPC1 912/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 RAB9A 891/4885MAPT 3969/4885NPC1 1002/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 RAB9A 1019/4885MAPT 4459/4885NPC1 1227/4885

“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.