SCHEMBL7325069

SCHEMBL7325069

CC=C1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
DRD2 P14416 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
HTR1A P08908 3/20 0.50
HTR2A P28223 3/20 0.50
SLC6A4 P31645 3/20 0.50
HRH1 P35367 3/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
TSHR P16473 2/20 0.50
ADRA2C P18825 2/20 0.50
CHRM3 P20309 2/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2C P28335 2/20 0.50
ADRA1A P35348 2/20 0.50
DRD3 P35462 2/20 0.50
HTR2B P41595 2/20 0.50

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
SCHEMBL599045 0.78 DRD2 (0.43) LMNADRD2CYP1A2CYP2D6TSHR
SCHEMBL7942059 0.78 HTR6 (0.50) LMNADRD2CYP1A2CYP2D6HTR1A
SCHEMBL7942062 0.78 HTR6 (0.50) LMNADRD2CYP1A2CYP2D6HTR1A
SCHEMBL6882019 0.76 HTR6 (0.38) LMNADRD2CYP1A2CYP2D6HTR1A
SCHEMBL11796344 0.75 HTR6 (0.43) LMNADRD2CYP1A2CYP2D6HTR1A
SCHEMBL11796340 0.75 HTR6 (0.43) LMNADRD2CYP1A2CYP2D6HTR1A
SCHEMBL17425294 0.72 LMNA (0.44) LMNADRD2CYP1A2CYP2D6HTR1A
SCHEMBL3769766 0.72 MEN1 (0.55) LMNADRD2CYP1A2CYP2D6HTR1A
SCHEMBL170602 0.72 MEN1 (0.55) LMNADRD2CYP1A2CYP2D6HTR1A
SCHEMBL15570432 0.71 MEN1 (0.45) LMNADRD2CYP1A2CYP2D6HTR1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346742-B2 Compositions and methods for the treatment of fibromyalgia pain CELLIX BIO PRIVATE LIMITED (IN) 2016-05-24 US disclosed
US-20150111966-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FIBROMYALGIA PAIN CELLIX BIO PRIVATE LIMITED (IN) 2015-04-23 US disclosed
EP-0581767-B1 5H-DIBENZO(a,d)CYCLOHEPTENES AS MUSCARINIC RECEPTOR ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-03 EP disclosed
US-5508280-A 5H-Dibenzo (A,D) cycloheptenes as muscarinic receptor antagonists MERRELL PHARMACEUTICALS, INC. (US) 1996-04-16 US disclosed
EP-0581767-A1 5H-DIBENZO(a,d)CYCLOHEPTENES AS MUSCARINIC RECEPTOR ANTAGONISTS. MERRELL DOW PHARMA (US) 1994-02-09 EP disclosed
WO-1991017973-A1 5H-DIBENZO(a,d)CYCLOHEPTENES AS MUSCARINIC RECEPTOR ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-28 WO disclosed
US-4048223-A 3-Dimethylsulfamoyl-5-[amino(alkyl or alkylidene)]-5H-dibenzo [a,d]cycloheptenes MERCK & CO., INC. (US) 1977-09-13 US disclosed
US-3978121-A 5H Dibenzo[a,d]cycloheptene derivatives MERCK & CO., INC. (US) 1976-08-31 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-20150111966-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FIBROMYALGIA PAIN SLC5A1, KYNU, HLA-DRB1 LMNA 1411/4885DRD2 3091/4885CYP1A2 1811/4885

“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.