SCHEMBL5654716

SCHEMBL5654716

CN1CCN(Cn2nnnc2-c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ P2RX7 Q99572 4/20 0.53
▸ SLC6A2 P23975 4/20 0.49
▸ SLC6A4 P31645 4/20 0.49
▸ SLC6A3 Q01959 3/20 0.49
▸ HSD11B1 P28845 1/20 0.48
▸ MC4R P32245 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHKA P35790 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL5651575 0.92 ALDH1A1 (0.57) ALDH1A1POLBHTTP2RX7SLC6A2
SCHEMBL5651027 0.82 ALDH1A1 (0.50) ALDH1A1POLBHTTP2RX7SLC6A2
SCHEMBL5651101 0.82 CYP2D6 (0.54) ALDH1A1POLBHTTP2RX7SLC6A2
SCHEMBL5654689 0.82 ALDH1A1 (0.50) ALDH1A1POLBHTTP2RX7SLC6A2
SCHEMBL4408289 0.74 ALDH1A1 (0.71) ALDH1A1POLBHTTP2RX7SLC6A2
SCHEMBL1154434 0.74 ALDH1A1 (0.62) ALDH1A1POLBHTTP2RX7SLC6A2
SCHEMBL4409130 0.72 ALDH1A1 (0.64) ALDH1A1POLBHTTP2RX7SLC6A2
SCHEMBL10635287 0.71 ALDH1A1 (0.68) ALDH1A1POLBHTTP2RX7SLC6A2
SCHEMBL8055077 0.71 ALDH1A1 (0.68) ALDH1A1POLBHTTP2RX7SLC6A2
SCHEMBL9603257 0.71 ALDH1A1 (0.58) ALDH1A1POLBHTTP2RX7HSD11B1

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-20070161691-A1 Modified-protein formation inhibitor TOKAI UNIVERSITY (JP) 2007-07-12 — — US disclosed
US-20070161691-A1 Modified-protein formation inhibitor TOKAI UNIVERSITY (JP) 2007-07-12 — — US disclosed
US-20070161691-A1 Modified-protein formation inhibitor TOKAI UNIVERSITY (JP) 2007-07-12 — — US disclosed
EP-1690857-A1 MODIFIED-PROTEIN FORMATION INHIBITOR TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2006-08-16 — — EP 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-20070161691-A1 Modified-protein formation inhibitor PTMS, ALB, AGER ALDH1A1 3045/4885POLB 4309/4885HTT 3067/4885

“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.

Send feedback