SCHEMBL1152842

SCHEMBL1152842

O=c1[nH]c2cc(F)ccc2n1C1CCN(C2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.61
DRD2 P14416 3/20 0.61
PLD2 O14939 4/20 0.52
PLD1 Q13393 4/20 0.52
OPRM1 P35372 2/20 0.52
CHRM2 P08172 3/20 0.49
CHRM4 P08173 3/20 0.49
CHRM3 P20309 2/20 0.49
CYP1A2 P05177 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
DRD4 P21917 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
HTR5A P47898 1/20 0.48

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
SCHEMBL11595640 0.92 CHRM1 (0.59) CHRM1DRD2PLD2PLD1OPRM1
SCHEMBL11594936 0.92 CHRM1 (0.57) CHRM1DRD2PLD2PLD1OPRM1
SCHEMBL11595730 0.92 CHRM1 (0.55) CHRM1DRD2PLD2PLD1OPRM1
SCHEMBL11594089 0.92 CHRM1 (0.57) CHRM1DRD2PLD2PLD1OPRM1
Hydrochloric Acid SCHEMBL30899388 0.91 CHRM1 (0.58) CHRM1DRD2PLD2PLD1OPRM1
SCHEMBL11592859 0.90 CHRM1 (0.54) CHRM1DRD2PLD2PLD1OPRM1
SCHEMBL11596136 0.90 CHRM1 (0.54) CHRM1DRD2PLD2PLD1OPRM1
SCHEMBL1152107 0.89 CHRM1 (0.64) CHRM1DRD2PLD2PLD1OPRM1
SCHEMBL11594258 0.89 OPRM1 (0.52) CHRM1DRD2OPRM1CHRM2CHRM4
SCHEMBL11594238 0.87 CHRM1 (0.59) CHRM1DRD2PLD2PLD1OPRM1

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-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
US-4076821-A 4,4-Diphenylcycloalkylpiperidines and psychotropic compositions thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1978-02-28 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 CHRM1 4858/4885DRD2 4871/4885PLD2 3614/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CHRM1 4858/4885DRD2 4871/4885PLD2 3614/4885

“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.