SCHEMBL6706541

SCHEMBL6706541

N[C@H](Cc1ccccc1)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.62
KDM4E B2RXH2 2/20 0.57
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
EPHX1 P07099 1/20 0.53
MC4R P32245 1/20 0.53
LMNA P02545 2/20 0.51
DRD4 P21917 1/20 0.51
POLB P06746 1/20 0.51
IGF1R P08069 1/20 0.50
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3595876 0.86 EPHX1 (0.57) SIGMAR1SLC6A4SLC6A3EPHX1
SCHEMBL3594490 0.86 EPHX1 (0.57) SIGMAR1SLC6A4SLC6A3EPHX1
SCHEMBL7369953 0.86 EPHX1 (0.57) SIGMAR1SLC6A4SLC6A3EPHX1
SCHEMBL8267549 0.85 SLC6A4 (0.56) SIGMAR1SLC6A4SLC6A3EPHX1MC4R
SCHEMBL7216040 0.85 SLC6A4 (0.56) SIGMAR1SLC6A4SLC6A3EPHX1MC4R
SCHEMBL1619274 0.85 SLC6A4 (0.56) SIGMAR1SLC6A4SLC6A3EPHX1MC4R
Hydrochloric Acid SCHEMBL4350813 0.84 EPHX1 (0.55) SIGMAR1KDM4ESLC6A4SLC6A3EPHX1
SCHEMBL11991373 0.84 EPHX1 (0.55) SIGMAR1SLC6A4SLC6A3EPHX1
SCHEMBL13405058 0.84 EPHX1 (0.55) SIGMAR1SLC6A4SLC6A3EPHX1
Hydrochloric Acid SCHEMBL6007251 0.84 EPHX1 (0.55) SIGMAR1KDM4ESLC6A4SLC6A3EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831084-B1 Agonism and antagonism; neuroprotection; strokes including thromboembolic and focal, global or tranient ischemic attack WYETH 2004-12-14 US disclosed
US-6828324-B2 Provide neuroprotection and prevent, inhibit or limit processes of neurodegeneration in mammals WYETH 2004-12-07 US disclosed
US-20040162430-A1 Branched adamantyl and noradamantyl aryl-and aralkylpiperazines with serotonin 5-HT 1A activity WYETH (US) 2004-08-19 US disclosed
EP-1276731-A2 BRANCHED ADAMANTYL AND NORADAMANTYL ARYL- AND ARALKYLPIPERAZINES WITH SEROTONIN 5-HT 1A ACTIVITY Wyeth (US) 2003-01-22 EP disclosed
WO-2001034586-A2 BRANCHED ADAMANTYL AND NORADAMANTYL ARYL- AND ARALKYLPIPERAZINES WITH SEROTONIN 5-HT1A ACTIVITY WYETH (US) 2001-05-17 WO 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-20040162430-A1 Branched adamantyl and noradamantyl aryl-and aralkylpiperazines with serotonin 5-HT 1A activity HTR1A, HTR5A, PARL SIGMAR1 760/4885KDM4E 4270/4885SLC6A4 193/4885

“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.