SCHEMBL6490734

SCHEMBL6490734

O=C(Cn1nccc1-c1ccc(O)cc1)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 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 0.85 ALDH1A1 (0.55) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL3368671 0.82 TSHR (0.46) RAB9ANPC1GAATSHRKMT2A
SCHEMBL6498110 0.81 HRH3 (0.44) RAB9ANPC1POLBCYP2C9CYP2C19
SCHEMBL15825794 0.78 PRMT5 (0.55) RAB9ANPC1POLBTSHRKMT2A
SCHEMBL3367040 0.73 FKBP1A (0.53) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL3366604 0.72 POLB (0.45) RAB9ANPC1POLBTSHRALDH1A1
SCHEMBL15156844 0.67 HSD17B10 (0.47) TSHRKDM4EALDH1A1KDM5AKDM4C
SCHEMBL15985154 0.66 SMN1; SMN2 (0.69) RAB9ANPC1POLBGAAKMT2A
SCHEMBL6491152 0.66 RAB9A (0.41) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL14653804 0.66 ESR1 (0.38) CYP2C9CYP2C19KDM5AKDM4CKDM5B

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 RAB9A 1181/4885NPC1 820/4885POLB 3688/4885

“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.