SCHEMBL2575841

SCHEMBL2575841

Cc1cccc(COC2CCCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
ADORA2A P29274 1/20 0.40
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA1 P14867 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2588526 0.98 DRD4 (0.53) DRD4SIGMAR1ADORA2AGABRG2GABRB3
SCHEMBL860402 0.81 ADORA2A (0.38) DRD4SIGMAR1ADORA2AALDH1A1KDM1A
SCHEMBL15359336 0.80 DRD4 (0.45) DRD4SIGMAR1ADORA2AGABRG2GABRB3
SCHEMBL29509184 0.79 ADORA2A (0.43) DRD4SIGMAR1ADORA2AMCHR1CXCR4
SCHEMBL19837936 0.79 ADORA2A (0.43) DRD4SIGMAR1ADORA2AMCHR1CXCR4
SCHEMBL16142846 0.79 ADORA2A (0.39) DRD4SIGMAR1ADORA2AALDH1A1KDM1A
SCHEMBL19510954 0.75 KDM1A (0.38) DRD4SIGMAR1ADORA2AKDM1AMAOA
SCHEMBL22242011 0.75 DRD4 (0.41) DRD4SIGMAR1ADORA2AALDH1A1CXCR4
SCHEMBL12061294 0.74 CXCR4 (0.56) KMT2AALDH1A1KDM1AMAOAMAOB
SCHEMBL10552541 0.72 KDM1A (0.55) KMT2AALDH1A1KDM1AMAOAMAOB

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-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A DRD4 51/4885SIGMAR1 104/4885ADORA2A 24/4885

“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.