SCHEMBL6744309

SCHEMBL6744309

CC1=C(C)C2=C(CC1)C(=O)N(C)c1ccccc1N2CCCBr

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.34
BCHE P06276 1/20 0.34
DRD2 P14416 4/20 0.33
CHRM2 P08172 3/20 0.33
DRD3 P35462 3/20 0.33
HRH1 P35367 2/20 0.33
HTR6 P50406 2/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HDAC3 O15379 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
HDAC4 P56524 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
HDAC1 Q13547 1/20 0.33
TUBB2A Q13885 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
SCHEMBL6744307 0.71 BCHE (0.32) CES1BCHEDRD2CHRM2DRD3
SCHEMBL7674175 0.68 CES1 (0.38) CES1BCHEDRD2CHRM2DRD3
SCHEMBL17298325 0.67 HTR2A (0.44) CES1BCHEDRD2CHRM2DRD3
SCHEMBL17298327 0.66 PIM1 (0.46) CES1BCHEDRD2CHRM2DRD3
SCHEMBL5389753 0.62 DRD2 (0.62) DRD2CHRM2DRD3HTR2AADRA1A
SCHEMBL8317220 0.62 OPRM1 (0.42) DRD2DRD3HTR1AHTR7HDAC3
SCHEMBL7980463 0.62 HTR2A (0.68) DRD2CHRM2DRD3HRH1HTR6
SCHEMBL28591995 0.62 CES1 (0.81) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL9152505 0.61 CES1 (0.41) CES1BCHEDRD2CHRM2DRD3
SCHEMBL56978 0.61 GLS (0.62) CHRM2MAPT

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-6703388-B2 DIBENZODIAZEPINE DERIVATIVES; ANTIHISTAMINES, LEUKOTRIENE INHIBITORS, ANTIALLERGENS, ANTIASTHMATICS; HAY FEVER, ATOPIC DERMATITIS, AND URTICARIA TREATMENT EISAI CO., LTD. (JP) 2004-03-09 US disclosed
US-20030171367-A1 Nitrogen-containing tricyclic compounds and drugs containing the same EISAI CO., LTD. 2003-09-11 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-20030171367-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 CES1 501/4885BCHE 530/4885DRD2 238/4885

“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.