Sugi Predict

Sugi Predict / Compounds / SCHEMBL1152298

SCHEMBL1152298

SCHEMBL1152298

O=c1[nH]c2ccccc2n1CCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.56
▸ HTR1A P08908 3/20 0.56
▸ DRD2 P14416 3/20 0.56
▸ HTR2A P28223 3/20 0.56
▸ DRD3 P35462 3/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ ADRA2B P18089 2/20 0.56
▸ ADRA2C P18825 2/20 0.56
▸ DRD1 P21728 2/20 0.56
▸ DRD4 P21917 2/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ ADRA1A P35348 2/20 0.56

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
SCHEMBL10735130 0.91 P2RX7 (0.67) P2RX7DRD2HTR2ADRD3KCNH2
SCHEMBL1153255 0.86 P2RX7 (0.51) P2RX7HTR1ADRD2HTR2ADRD3
SCHEMBL11192856 0.84 P2RX7 (0.69) P2RX7HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL11201992 0.84 P2RX7 (0.53) P2RX7HTR1ADRD2HTR2ADRD3
SCHEMBL6520150 0.83 HTR2A (0.60) P2RX7HTR1ADRD2HTR2ADRD3
SCHEMBL6520146 0.83 HTR2A (0.60) P2RX7HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL11364070 0.83 P2RX7 (0.53) P2RX7HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL11364096 0.83 P2RX7 (0.53) P2RX7HTR1ADRD2HTR2ADRD3
SCHEMBL6520157 0.83 HTR2A (0.60) P2RX7HTR1ADRD2HTR2ADRD3
SCHEMBL1152790 0.82 P2RX7 (0.83) P2RX7HTR1ADRD2HTR2ADRD3

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-4680296-A ANTIALLERGENS, ANTIPRUITIC AGENTS SYNTHELABO (FR) 1987-07-14 — — 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 P2RX7 912/4885HTR1A 4623/4885DRD2 4871/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS P2RX7 912/4885HTR1A 4623/4885DRD2 4871/4885

“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.