SCHEMBL6745374

SCHEMBL6745374

C=C1c2ccccc2N(CCCBr)c2c1ccc(C)c2C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ALDH2 P05091 2/20 0.33
ALDH3A1 P30838 2/20 0.33
CDC25A P30304 10/20 0.33
DRD3 P35462 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL6748615 0.87 HTR2A (0.39) CES1ALDH1A1ALDH2ALDH3A1CDC25A
SCHEMBL6749836 0.80 ACHE (0.44)
SCHEMBL7674175 0.78 CES1 (0.38) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL6744931 0.72 CYP2D6 (0.48) ALDH1A1DRD3
SCHEMBL17298325 0.65 HTR2A (0.44) CES1BCHEALDH1A1DRD3
SCHEMBL12659970 0.64 MEN1 (0.46) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL17298327 0.64 PIM1 (0.46) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL28591995 0.63 CES1 (0.81) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL6745540 0.63 CYP2D6 (0.47) ALDH1A1DRD3
SCHEMBL24255189 0.62 TTR (0.40) CES1ALDH1A1

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-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
US-6489336-B2 PHENOTHIAZINE, ACRIDAN, ACRIDONE OXIME, ACRIDONE HYDRAZONE, OR DIBENZODIAZEPINE DERIVATIVES; TYROSINE KINASE INHIBITORS; TREATING ALLERGIC DISEASES EISAI CO., LTD. (JP) 2002-12-03 US disclosed
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same EISAI CO., LTD. 2002-08-01 US disclosed
US-6333322-B1 FOR THERAPY OF ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, URTICARIA, HAY FEVER, GASTROINTESTINAL ALLERGY AND FOOD ALLERGY EISAI CO., LTD. (JP) 2001-12-25 US disclosed
EP-0889037-A1 NITROGENOUS TRICYCLIC COMPOUNDS AND DRUGS COMPRISING THE SAME Eisai Co., Ltd. (JP) 1999-01-07 EP 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 (2 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 530/4885ALDH1A1 149/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 CES1 501/4885BCHE 530/4885ALDH1A1 149/4885

“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.