SCHEMBL5221962

SCHEMBL5221962

Cc1nc(-c2ccc(-c3ccc(CN4CCN(c5ncccn5)CC4)cc3)cc2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TSHR P16473 2/20 0.63
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
DRD4 P21917 3/20 0.49
CYP2D6 P10635 2/20 0.48
KCNH2 Q12809 2/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 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
SCHEMBL5225628 0.96 ALDH1A1 (0.58) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL5312395 0.83 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL5224880 0.83 SMN1; SMN2 (0.62) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL5225958 0.82 SMN1; SMN2 (0.59) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL5928148 0.82 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL5225149 0.81 SMN1; SMN2 (0.61) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL5223197 0.81 SMN1; SMN2 (0.53) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL28957460 0.80 SMN1; SMN2 (0.63) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL5223004 0.80 EPHX2 (0.47) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL7074835 0.79 KMT2A (0.58) ALDH1A1TSHRMEN1KMT2AHSD17B10

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-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 US claimed
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP disclosed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 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-20060019998-A1 Histamine-3 receptor antagonist HRH3, HRH4, HRH2 ALDH1A1 1183/4885TSHR 432/4885MEN1 2999/4885

“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.