SCHEMBL4841608

SCHEMBL4841608

C=C[C@H](NCC(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
AOC3 Q16853 1/20 0.40
APAF1 O14727 1/20 0.39
CYP3A4 P08684 3/20 0.38
HTR1A P08908 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
SMPD1 P17405 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL4445401 0.80 MTOR (0.52) TAAR1CYP3A4HTR1AADORA3SLC6A2
SCHEMBL2028407 0.78 ALDH1A1 (0.46) TAAR1CYP3A4ADRA1ACHRM2LMNA
SCHEMBL10979420 0.77 SMN1; SMN2 (0.40) AOC3APAF1CYP3A4LMNACYP2C19
SCHEMBL3297741 0.77 SMN1; SMN2 (0.43) CYP3A4LMNACYP2C19SMN1; SMN2ALDH1A1
SCHEMBL3293876 0.76 SMN1; SMN2 (0.59) CASRLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4843164 0.76 SMN1; SMN2 (0.59) CASRLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL11436618 0.75 ALDH1A1 (0.41) APAF1CYP3A4HTR1AADORA3SLC6A2
SCHEMBL3268633 0.75 HRH1 (0.43) TAAR1AOC3CYP3A4HTR1AADORA3
SCHEMBL10989196 0.74 RAB9A (0.41) CYP3A4HTR1AADORA3SLC6A2SLC6A4
SCHEMBL5228652 0.74 APAF1 (0.63) TAAR1AOC3APAF1CYP3A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-20060183732-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-08-17 US disclosed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 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-20060183732-A1 Novel lactams and uses thereof BACE1, BACE2, APP TAAR1 4590/4885AOC3 2357/4885APAF1 442/4885

“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.