SCHEMBL6498110

SCHEMBL6498110

NCCOc1ccc(-c2ccnn2CC(=O)N2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL6497228 0.83 ALDH1A1 (0.55) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL6490734 0.81 RAB9A (0.44) ALDH1A1LMNASMN1; SMN2KMT2ARAB9A
SCHEMBL3368671 0.81 TSHR (0.46) ALDH1A1HPGDSMN1; SMN2KMT2ARAB9A
SCHEMBL3367040 0.72 FKBP1A (0.53) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL6491146 0.71 ALDH1A1 (0.44) HRH3ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3366604 0.71 POLB (0.45) HRH3ALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL6492226 0.69 ALDH1A1 (0.42) HRH3ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6618657 0.65 KDM4E (0.50) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL15825794 0.63 PRMT5 (0.55) HRH3ALDH1A1LMNAHPGDKMT2A
SCHEMBL29237868 0.62 TAAR1 (0.65) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864268-B2 β3 adrenergic receptor agonists PFIZER INC. (US) 2005-03-08 US disclosed
US-20030212063-A1 beta3 adrenergic receptor agonists PFIZER INC. 2003-11-13 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-20030212063-A1 beta3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 HRH3 262/4885KCNH2 775/4885ALDH1A1 498/4885

“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.