SCHEMBL6744307

SCHEMBL6744307

CC1=C2C(=CCC1C)C(=O)N(C)c1ccccc1N2CCCBr

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
HDAC3 O15379 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
HDAC4 P56524 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
HDAC1 Q13547 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL6744309 0.71 CES1 (0.34) BCHECES1HDAC3TUBB4ATUBB
SCHEMBL7674175 0.65 CES1 (0.38) BCHECES1HDAC3TUBB4ATUBB
SCHEMBL17298325 0.64 HTR2A (0.44) BCHECES1LMNACHRM2HTR1A
SCHEMBL17298327 0.62 PIM1 (0.46) BCHECES1LMNACHRM2HTR1A
SCHEMBL8317220 0.62 OPRM1 (0.42) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL9152505 0.61 CES1 (0.41) BCHECES1HDAC3TUBB4ATUBB
SCHEMBL28591995 0.59 CES1 (0.81) BCHECES1
SCHEMBL29351736 0.58 GLS (0.62) CHRM2MAPT
SCHEMBL56978 0.58 GLS (0.62) CHRM2MAPT
SCHEMBL5711001 0.58 PIM1 (0.44) BCHECES1LMNACHRM2HTR1A

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 BCHE 530/4885CES1 501/4885HDAC3 1118/4885

“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.