SCHEMBL6328562

SCHEMBL6328562

Cc1coc(-c2ccc(OCCN)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.61
HRH3 Q9Y5N1 1/20 0.41
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 2/20 0.40
LTA4H P09960 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL28289469 0.77 ENPP3 (0.59) AOC3SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL21889022 0.76 AOC3 (1.00) AOC3
SCHEMBL6326200 0.76 ENPP3 (0.60) CYP19A1CYP1A2CYP2C9CYP2C19TAAR1
SCHEMBL9863021 0.75 CYP19A1 (0.48) AOC3HRH3CYP19A1CYP1A2CYP2C9
SCHEMBL9863113 0.75 CYP19A1 (0.48) AOC3HRH3CYP19A1CYP1A2CYP2C9
SCHEMBL3066200 0.74 HRH3 (0.59) HRH3
SCHEMBL6328579 0.74 LTA4H (0.58) SMN1; SMN2TAAR1KDM4ENPC1ALDH1A1
SCHEMBL6335545 0.74 AOC3 (0.60) AOC3CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5310580 0.73 ACHE (0.56) AOC3SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7148308 0.73 AOC3 (0.48) AOC3ENPP3ENPP1

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-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
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

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 AOC3 816/4885HRH3 612/4885CYP19A1 534/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 AOC3 722/4885HRH3 335/4885CYP19A1 561/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 AOC3 399/4885HRH3 213/4885CYP19A1 531/4885

“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.