SCHEMBL7530735

SCHEMBL7530735

NCCCN1CCC(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 11/20 0.50
DRD2 P14416 5/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
DRD3 P35462 3/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
ADRA1B P35368 10/20 0.45
ADRA1D P25100 9/20 0.45
HRH1 P35367 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL6646061 0.84 CCR2 (0.42) ADRA1ADRD2HTR1AHTR2ADRD3
SCHEMBL3595429 0.84 DRD2 (0.59) DRD2HTR1AHTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL7658854 0.83 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL7657963 0.83 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL27932651 0.81 DRD2 (0.69) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL23220401 0.81 HTR2A (0.44) ADRA1ADRD2HTR1AHTR2ADRD3
SCHEMBL13974994 0.79 DRD3 (0.61) ADRA1ADRD2HTR1ADRD3DRD1
SCHEMBL6198442 0.78 SIGMAR1 (0.69) DRD2
SCHEMBL4093709 0.77 TLR9 (0.47) DRD2
SCHEMBL13085465 0.77 QDPR (0.59) ADRA1ADRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 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 (1 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADRA1A 4/4885DRD2 1498/4885HTR1A 238/4885

“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.