SCHEMBL6749822

SCHEMBL6749822

Cc1ccc2c(c1C)N(CCCNCc1ccccc1)c1ccccc1S2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.49
SIGMAR1 Q99720 3/20 0.44
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
SLC22A1 O15245 1/20 0.40
PRNP P04156 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL6749814 0.80 KDM1A (0.47) KDM1ASIGMAR1CYP2D6CYP2C19SLC22A1
SCHEMBL6751588 0.79 PIM1 (0.60) KDM1ASIGMAR1CYP2D6CYP2C19SLC22A1
SCHEMBL6744931 0.79 CYP2D6 (0.48) KDM1ASIGMAR1CYP2D6CYP2C19SLC22A1
SCHEMBL6748831 0.79 CYP2D6 (0.48) KDM1ASIGMAR1CYP2D6CYP2C19SLC22A1
SCHEMBL21467524 0.77 LMNA (0.60) KDM1ASIGMAR1CYP2D6CYP2C19SLC22A1
SCHEMBL6745540 0.76 CYP2D6 (0.47) KDM1ASIGMAR1CYP2D6CYP2C19SLC22A1
SCHEMBL6748650 0.76 CYP2D6 (0.44) KDM1ASIGMAR1CYP2D6CYP2C19SLC22A1
SCHEMBL6749836 0.76 ACHE (0.44) SIGMAR1CHRM2ACHEMAOASCN8A
SCHEMBL24980301 0.76 KDM1A (0.57) KDM1ASIGMAR1LMNAMAPTPIM1
SCHEMBL6866025 0.76 KDM1A (0.55) KDM1ASIGMAR1CYP2D6CYP2C19SLC22A1

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 943/4885SIGMAR1 278/4885CYP2D6 83/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 KDM1A 943/4885SIGMAR1 278/4885CYP2D6 83/4885

“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.