SCHEMBL6410620

SCHEMBL6410620

CN1CCN(C2CCCc3ccc(-c4ccc(OCc5ccccc5)cc4)cc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.50
CYP2D6 P10635 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
BACE1 P56817 1/20 0.46
DRD2 P14416 1/20 0.44
MTNR1B P49286 2/20 0.44
MAPT P10636 1/20 0.43
PRMT5 O14744 1/20 0.43
HRH1 P35367 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL6404018 0.86 DRD2 (0.48) HRH3DRD2MTNR1B
SCHEMBL6409744 0.85 DRD2 (0.57) HRH3DRD2MTNR1B
SCHEMBL6404494 0.85 DRD2 (0.57) HRH3DRD2MTNR1B
SCHEMBL6409467 0.81 KMT2A (0.55) NPC1RAB9AMTNR1BMAPT
SCHEMBL6407507 0.79 MTNR1B (0.46) HRH3CYP2D6NPC1RAB9AMTNR1B
SCHEMBL6409507 0.78 SLC6A5 (0.48) HRH3MTNR1BKDM1AMAOAMAOB
SCHEMBL6405877 0.77 DRD2 (0.44) DRD2MTNR1B
SCHEMBL6405872 0.77 MTNR1B (0.55) MTNR1B
SCHEMBL6403876 0.77 ADRA1D (0.46) HRH3DRD2MTNR1B
SCHEMBL6405018 0.76 DRD2 (0.57) DRD2MTNR1B

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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US claimed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 WO claimed
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US disclosed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D HRH3 136/4885CYP2D6 534/4885NPC1 2461/4885

“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.