SCHEMBL1152450

SCHEMBL1152450

O=c1[nH]c2ccccc2n1C1CCN(C2C=CC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
OPRM1 P35372 5/20 0.53
CHRM1 P11229 7/20 0.53
CHRM2 P08172 4/20 0.53
CHRM4 P08173 2/20 0.53
CHRM3 P20309 2/20 0.53
DRD2 P14416 4/20 0.50
HTR1A P08908 3/20 0.50
HTR2A P28223 3/20 0.50
DRD3 P35462 3/20 0.50
KCNH2 Q12809 3/20 0.50
CHRM5 P08912 1/20 0.50
OPRK1 P41145 5/20 0.49
MLNR O43193 2/20 0.49
LMNA P02545 2/20 0.49
PGR P06401 2/20 0.49
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRA2A P08913 2/20 0.49

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
Hydrochloric Acid SCHEMBL1152231 0.99 POLB (0.53) POLBHSD17B10OPRM1CHRM1CHRM2
SCHEMBL1153122 0.90 CHRM1 (0.52) POLBHSD17B10OPRM1CHRM1DRD2
SCHEMBL11593801 0.90 OPRM1 (0.55) OPRM1CHRM1CHRM2CHRM4CHRM3
SCHEMBL11595473 0.90 OPRM1 (0.56) OPRM1CHRM1CHRM2CHRM4CHRM3
Hydrochloric Acid SCHEMBL11594931 0.89 OPRM1 (0.55) OPRM1CHRM1CHRM2CHRM4CHRM3
Hydrochloric Acid SCHEMBL1152327 0.89 CHRM1 (0.51) POLBHSD17B10OPRM1CHRM1DRD2
SCHEMBL11593459 0.87 DRD2 (0.51) OPRM1CHRM1DRD2HTR1AHTR2A
SCHEMBL11593726 0.85 CHRM1 (0.46) POLBHSD17B10OPRM1CHRM1DRD2
SCHEMBL1152107 0.81 CHRM1 (0.64) POLBHSD17B10OPRM1CHRM1CHRM2
SCHEMBL1153304 0.79 CHRM1 (0.50) POLBHSD17B10OPRM1CHRM1CHRM2

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-4076821-A 4,4-Diphenylcycloalkylpiperidines and psychotropic compositions thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1978-02-28 US claimed
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 POLB 1168/4885HSD17B10 3104/4885OPRM1 3829/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS POLB 1168/4885HSD17B10 3104/4885OPRM1 3829/4885

“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.