SCHEMBL6749853

SCHEMBL6749853

Cc1ccc2c(c1C)N(CCCN1CCOCC1)c1ccccc1[S+]2[O-]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.46
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP2A13 Q16696 1/20 0.35
AVPR2 P30518 1/20 0.35

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
SCHEMBL6751559 0.80 MC4R (0.44) KDM1ADRD2POLBSIGMAR1ALDH1A1
SCHEMBL6746814 0.80
SCHEMBL6746847 0.80 HTR2A (0.41)
SCHEMBL6746868 0.79 DRD2 (0.39) HTR1ADRD2HTR6
SCHEMBL6748667 0.78 HTR2A (0.31)
SCHEMBL6746830 0.74 ACHE (0.39) SIGMAR1
SCHEMBL8342160 0.72 ALDH1A1 (0.42) HTR1ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL6748820 0.71 DPP7 (0.36) SIGMAR1SMN1; SMN2
SCHEMBL6751602 0.71 CA12 (0.43) MAPK1
SCHEMBL14281169 0.69 HTR2A (0.43) KDM1AHTR1ADRD2HTR6SIGMAR1

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 KDM1A 943/4885HTR1A 25/4885DRD2 238/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 KDM1A 943/4885HTR1A 25/4885DRD2 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.