Sugi Predict

Sugi Predict / Compounds / SCHEMBL1152790

SCHEMBL1152790

SCHEMBL1152790

O=c1[nH]c2ccccc2n1CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.83
▸ ADORA3 P0DMS8 2/20 0.72
▸ CHRM1 P11229 2/20 0.72
▸ SLC6A4 P31645 2/20 0.72
▸ ADRA1A P35348 2/20 0.72
▸ OPRM1 P35372 2/20 0.72
▸ DRD3 P35462 2/20 0.72
▸ KCNH2 Q12809 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ MLNR O43193 1/20 0.72
▸ NR1I2 O75469 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ CHRM2 P08172 1/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ DRD2 P14416 1/20 0.72
▸ PKM P14618 1/20 0.72
▸ ADRA2C P18825 1/20 0.72

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
Water SCHEMBL11200625 0.99 P2RX7 (0.81) P2RX7ADORA3CHRM1SLC6A4ADRA1A
Water SCHEMBL11200623 0.99 P2RX7 (0.81) P2RX7ADORA3CHRM1SLC6A4ADRA1A
SCHEMBL1152077 0.98 P2RX7 (0.87) P2RX7ADORA3CHRM1SLC6A4ADRA1A
SCHEMBL1152704 0.93 P2RX7 (0.83) P2RX7ADORA3CHRM1SLC6A4ADRA1A
SCHEMBL1152607 0.93 P2RX7 (0.83) P2RX7ADORA3CHRM1SLC6A4ADRA1A
SCHEMBL1152747 0.92 P2RX7 (0.84) P2RX7ADORA3CHRM1SLC6A4ADRA1A
Hydrochloric Acid SCHEMBL11205596 0.92 P2RX7 (0.82) P2RX7ADORA3CHRM1SLC6A4ADRA1A
SCHEMBL15346498 0.92 P2RX7 (0.84) P2RX7ADORA3CHRM1SLC6A4ADRA1A
Hydrochloric Acid SCHEMBL11205601 0.91 P2RX7 (0.82) P2RX7ADORA3CHRM1SLC6A4ADRA1A
Hydrochloric Acid SCHEMBL11374610 0.91 P2RX7 (0.80) P2RX7ADORA3CHRM1SLC6A4ADRA1A

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 5 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-4377578-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1983-03-22 — — US disclosed
US-4200641-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-04-29 — — 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 912/4885ADORA3 3168/4885CHRM1 4858/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS P2RX7 912/4885ADORA3 3168/4885CHRM1 4858/4885

“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.