SCHEMBL4026098

SCHEMBL4026098

CC(CC=CO)c1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
NFKB1 P19838 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2632877 0.74 PNMT (0.59) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL10693201 0.73 PNMT (0.57) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL21776127 0.72 PNMT (0.55) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL27551988 0.70 CYP1A2 (0.63) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL7546175 0.70 CYP1A2 (0.63) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL423182 0.69 CYP1A2 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL22801396 0.69 CYP1A2 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL6685393 0.69 PNMT (0.52) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL4026103 0.68 ALDH1A1 (0.43) PNMTCYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL6684793 0.68 CYP1A2 (0.50) PNMTCYP1A2CYP3A4CYP2D6NFKB1

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
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
US-7064136-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US disclosed
US-20040058916-A1 Compounds ASTRAZENECA AB (SE) 2004-03-25 US disclosed
EP-1345899-A1 COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002051807-A1 COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 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 (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-20040058916-A1 Compounds CYP11B2, CYP11B1, PCSK9 PNMT 2914/4885CYP1A2 60/4885CYP3A4 53/4885

“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.