SCHEMBL1152886

SCHEMBL1152886

O=c1[nH]c2ccccc2n1CCCN1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
P2RX7 Q99572 1/20 0.58
HTR7 P34969 2/20 0.56
MEN1 O00255 1/20 0.54
SLC22A2 O15244 1/20 0.54
NR1I2 O75469 1/20 0.54
GMNN O75496 1/20 0.54
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.54
GLA P06280 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2D6 P10635 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54

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
SCHEMBL11358979 0.84 LMNA (0.63) LMNAP2RX7HTR7ADRB2ADRB1
SCHEMBL27246575 0.83 HTR7 (0.60) LMNAP2RX7HTR7HTR1A
SCHEMBL2150225 0.82 LMNA (0.67) LMNAP2RX7HTR7MEN1SLC22A2
Declenperone SCHEMBL2112237 0.81 HTR2A (0.69) LMNAP2RX7HTR7MEN1CYP1A2
SCHEMBL10691634 0.81 CYP3A4 (0.68) LMNAHTR7MEN1CYP1A2CYP3A4
SCHEMBL10546931 0.81 GRIN1 (0.47) LMNAP2RX7MEN1SLC22A2NR1I2
SCHEMBL10552682 0.81 USP2 (0.47) LMNAP2RX7HTR7MEN1SLC22A2
SCHEMBL6520157 0.81 HTR2A (0.60) LMNAP2RX7HTR7MEN1SLC22A2
SCHEMBL6520150 0.81 HTR2A (0.60) LMNAP2RX7HTR7MEN1SLC22A2
SCHEMBL6520146 0.81 HTR2A (0.60) LMNAP2RX7HTR7MEN1SLC22A2

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 3 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

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 LMNA 156/4885P2RX7 912/4885HTR7 4258/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS LMNA 156/4885P2RX7 912/4885HTR7 4258/4885

“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.