SCHEMBL1152078

SCHEMBL1152078

O=c1n(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc2n1C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 5/20 0.55
CACNA1H O95180 5/20 0.55
SLC6A2 P23975 5/20 0.55
OPRM1 P35372 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
SLC6A4 P31645 3/20 0.55
OPRK1 P41145 3/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
MLNR O43193 2/20 0.55
GMNN O75496 2/20 0.55
USP2 O75604 2/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
CYP3A4 P08684 2/20 0.55
ADORA3 P0DMS8 2/20 0.55

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
SCHEMBL24709131 0.81 CACNA1G (0.76) CACNA1GCACNA1HSLC6A2OPRM1SMN1; SMN2
SCHEMBL30079786 0.81 CACNA1G (0.76) CACNA1GCACNA1HSLC6A2OPRM1SMN1; SMN2
SCHEMBL10281563 0.81 OPRM1 (0.65) CACNA1GCACNA1HSLC6A2OPRM1SMN1; SMN2
SCHEMBL1152634 0.79 OPRM1 (0.60) CACNA1GCACNA1HSLC6A2OPRM1SMN1; SMN2
SCHEMBL12205223 0.78 CACNA1G (0.50) CACNA1GCACNA1HOPRM1OPRK1CYP3A4
SCHEMBL8478720 0.78 CACNA1G (0.52) CACNA1GCACNA1HOPRM1NPSR1OPRK1
SCHEMBL8058238 0.78 CACNA1G (0.48) CACNA1GCACNA1HOPRM1SMN1; SMN2NPSR1
SCHEMBL11929305 0.77 HTR2A (0.68) CACNA1GCACNA1HSLC6A2OPRM1SMN1; SMN2
SCHEMBL14515353 0.76 CACNA1G (0.46) CACNA1GCACNA1HOPRM1OPRK1OPRL1
SCHEMBL8059497 0.75 OPRL1 (0.48) CACNA1GCACNA1HOPRM1OPRK1OPRD1

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 4 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
US-3989707-A NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-02 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 (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 CACNA1G 3832/4885CACNA1H 4234/4885SLC6A2 3501/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CACNA1G 3832/4885CACNA1H 4234/4885SLC6A2 3501/4885

“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.