SCHEMBL4869835

SCHEMBL4869835

CN1CCC(Sc2cc(Cl)ccc2N)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
NOS3 P29474 3/20 0.38
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
DRD2 P14416 2/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH4 Q9H3N8 4/20 0.36
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
DRD4 P21917 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
LSS P48449 1/20 0.35

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
SCHEMBL4874452 0.77 POLB (0.32) POLBSMN1; SMN2
SCHEMBL4874445 0.76 POLB (0.36) POLBDRD2HTR7HTR6CYP3A4
Hydrochloric Acid SCHEMBL4873374 0.75 POLB (0.31) POLBSMN1; SMN2
SCHEMBL4868707 0.74 POLB (0.33) POLBSMN1; SMN2
SCHEMBL9173774 0.74 POLB (0.36) POLBNOS3NOS1NOS2DRD2
SCHEMBL4874939 0.74 GAA (0.33) ALOX15SMN1; SMN2
SCHEMBL18758727 0.74 POLB (0.50) POLBDRD4HTR2AHTR2CLSS
SCHEMBL9171444 0.73 IDO1 (0.48) HTR6CYP3A4HRH4HRH3
SCHEMBL4874420 0.71 POLB (0.31) POLB
SCHEMBL14082421 0.71 GAA (0.36) POLBCYP3A4TSHRALDH1A1ALOX15

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-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 POLB 3514/4885NOS3 2953/4885NOS1 3279/4885

“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.