SCHEMBL6406033

SCHEMBL6406033

CN1CCN(C2CCCc3ccc(NC(=O)c4ccc(CN)cc4)cc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
RORC P51449 5/20 0.47
BTK Q06187 1/20 0.45
HTR2C P28335 3/20 0.45
HTR1A P08908 3/20 0.44
DRD3 P35462 2/20 0.44
MTNR1B P49286 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1F P30939 2/20 0.43
HTR1B P28222 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6306897 0.87 CTSS (0.66) CTSSCNR1CNR2RORCHTR2C
SCHEMBL6405291 0.86 CNR1 (0.55) CTSSCNR1CNR2RORCHTR2C
SCHEMBL6405601 0.86 CTSS (0.52) CTSSCNR1CNR2RORCHTR2C
SCHEMBL6407049 0.85 CNR1 (0.56) CTSSCNR1CNR2RORCHTR2C
SCHEMBL6409520 0.85 CNR1 (0.54) CTSSCNR1CNR2RORCHTR2C
SCHEMBL6405856 0.84 CNR1 (0.47) CTSSCNR1CNR2RORCHTR2C
SCHEMBL6411711 0.83 TP53 (0.57) CTSSCNR1CNR2RORCMTNR1B
SCHEMBL6409467 0.83 KMT2A (0.55) CTSSHTR2CMTNR1BNPC1ALDH1A1
SCHEMBL6405025 0.82 TRPV1 (0.60) CTSSCNR1CNR2MTNR1BNPC1
SCHEMBL6405626 0.81 CTSS (0.46) CTSSCNR1CNR2RORCHTR2C

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 3 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
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 CTSS 3418/4885CNR1 48/4885CNR2 66/4885

“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.