SCHEMBL2162689

SCHEMBL2162689

Cn1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
GLA P06280 1/20 1.00
HTR7 P34969 12/20 0.64
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GPR84 Q9NQS5 1/20 0.53
HTT P42858 1/20 0.52

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
SCHEMBL5196972 0.89 LMNA (0.81) LMNAGLAHTR7ALDH1A1TSHR
SCHEMBL5961922 0.82 LMNA (0.69) LMNAGLAALDH1A1TSHRDRD2
SCHEMBL8473238 0.79 LMNA (0.66) LMNAGLAALDH1A1TSHRDRD2
SCHEMBL14375226 0.78 LMNA (0.64) LMNAGLAALDH1A1TSHRDRD2
SCHEMBL21485188 0.76 LMNA (0.60) LMNAGLAALDH1A1TSHRDRD2
Hydrochloric Acid SCHEMBL21485251 0.75 LMNA (0.59) LMNAGLAALDH1A1TSHRDRD2
SCHEMBL21475538 0.73 LMNA (0.57) LMNAGLAHTR7ALDH1A1TSHR
SCHEMBL7420674 0.72 LMNA (0.77) LMNAGLAHTR7ALDH1A1DRD2
SCHEMBL7424306 0.72 HTR7 (0.69) LMNAGLAHTR7ALDH1A1TSHR
SCHEMBL5169697 0.72 HTR7 (0.69) LMNAGLAHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US claimed
EP-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP claimed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
WO-2010012817-A2 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 WO disclosed
EP-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP disclosed
EP-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 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-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME HTR7, HTR1A, HTR6 LMNA 2637/4885GLA 4600/4885HTR7 1/4885

“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.