SCHEMBL6748615

SCHEMBL6748615

C=C1c2ccccc2N(CCCN)c2c1ccc(C)c2C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
SYK P43405 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIM1 P11309 1/20 0.35
HEXA P06865 2/20 0.34
HEXB P07686 2/20 0.34
KIF11 P52732 2/20 0.34
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
CES1 P23141 2/20 0.33
CDC25A P30304 1/20 0.33
DRD3 P35462 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
SCHEMBL6745374 0.87 CES1 (0.35) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL6749836 0.80 ACHE (0.44)
SCHEMBL6751588 0.72 PIM1 (0.60) HTR2ATDP1PIM1ALDH1A1DRD3
SCHEMBL15064785 0.72 HTR2A (0.56) HTR2APIM1HEXAHEXBALDH1A1
SCHEMBL6748694 0.70 MAPT (0.47) HTR2ASYKGLAHPGDAPEX1
SCHEMBL6746847 0.70 HTR2A (0.41) HTR2ASYKGLAHPGDAPEX1
SCHEMBL7674175 0.65 CES1 (0.38) HTR2AHPGDRECQLTDP1ALDH1A1
SCHEMBL12659970 0.64 MEN1 (0.46) HPGDALDH1A1ALDH2ALDH3A1CES1
SCHEMBL15064787 0.64 HTR2A (0.43) HTR2ASYKGLAHPGDAPEX1
SCHEMBL8254910 0.63 HTR2A (0.69) HTR2AALDH1A1DRD3

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 HTR2A 87/4885SYK 1422/4885GLA 3825/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 HTR2A 87/4885SYK 1422/4885GLA 3825/4885

“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.