SCHEMBL1151545

SCHEMBL1151545

CCN(CC)CCOc1ccc(C2(c3ccccc3)OCCC2c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
LTA4H P09960 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ESR1 P03372 5/20 0.42
SIGMAR1 Q99720 4/20 0.42
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
EBP Q15125 3/20 0.42
KCNH2 Q12809 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
PTGS1 P23219 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
DRD3 P35462 2/20 0.42
HTR6 P50406 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL9098140 0.89 CHRM2 (0.48) CYP2D6CYP1A2LTA4HESR1SIGMAR1
SCHEMBL9859831 0.78 OPRM1 (0.44) SIGMAR1CHRM2CHRM1KMT2ACHRM4
SCHEMBL9100498 0.76 CHRM2 (0.50) SIGMAR1CHRM2CHRM1CHRM4CHRM3
SCHEMBL19717574 0.72 CYP2D6 (0.57) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL19717575 0.72 CYP2D6 (0.57) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL8916213 0.72 CYP2D6 (0.53) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL10571628 0.72 CYP2D6 (0.60) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL1152495 0.71 CHRM2 (0.43) ESR1SIGMAR1CHRM2CHRM1CHRM4
SCHEMBL12893226 0.71 CYP2D6 (0.56) CYP2D6HTTCYP1A2LTA4HCYP2C9
Hydrochloric Acid SCHEMBL10577339 0.71 CYP2D6 (0.58) CYP2D6HTTCYP1A2LTA4HCYP2C9

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-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed
US-4996225-A Antitumor agents FARMOS GROUP LTD. (FI) 1991-02-26 US disclosed
US-4696949-A ANTITUMOR AGENTS, ANTIESTROGENS FARMOS GROUP LTD. (FI) 1987-09-29 US disclosed
EP-0095875-B1 NOVEL TRI-PHENYL ALKANE AND ALKENE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-09-10 EP disclosed
EP-0095875-A2 Novel tri-phenyl alkane and alkene derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-12-07 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CYP2D6 4542/4885HTT 2368/4885CYP1A2 3895/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CYP2D6 4542/4885HTT 2368/4885CYP1A2 3895/4885

“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.