SCHEMBL6225474

SCHEMBL6225474

CN1CCN(c2ccccc2-c2ccc(Cn3ccc4cccnc43)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
CXCR3 P49682 1/20 0.39
P2RX7 Q99572 1/20 0.39
MTNR1A P48039 1/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 1/20 0.38
STAT6 P42226 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR2C P28335 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
DHFR P00374 1/20 0.37
MET P08581 1/20 0.37
CHKA P35790 1/20 0.36
F10 P00742 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6226643 0.88 HTR3E (0.42) HRH4MTNR1AHTR1AHTR3EHTR3B
SCHEMBL6696172 0.83 HTR6 (0.49) HTR1AHTR7
SCHEMBL6700106 0.79 KMT2A (0.46) HRH4HTR1AHTR3EHTR3BHTR2C
SCHEMBL6705597 0.77 MTNR1A (0.39) P2RX7MTNR1AALDH1A1
SCHEMBL6700145 0.77 HTR1A (0.40) HTR1AHTR7HTR3EHTR3BHTR2C
SCHEMBL6693288 0.76 HTR7 (0.48) HTR1AHTR7HTR2C
SCHEMBL6226610 0.75 HTR1A (0.46) HTR1AHTR7HTR2CCHKA
SCHEMBL114576 0.75 CXCR3 (0.51) CXCR3ALDH1A1
SCHEMBL6248861 0.74 CYP11B1 (0.56)
SCHEMBL3739598 0.74 CXCR3 (0.58) CXCR3ALDH1A1

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-20040229874-A1 5HT7 Antagonists and inverse agonists PFIZER INC. 2004-11-18 US claimed
EP-1592772-A2 5HT7 ANTAGONISTS AND INVERSE AGONISTS Pfizer Products Incorporated (US) 2005-11-09 EP disclosed
US-20040229874-A1 5HT7 Antagonists and inverse agonists PFIZER INC. 2004-11-18 US disclosed
WO-2004067703-A2 5HT7 ANTAGONISTS AND INVERSE AGONISTS PFIZER PRODUCTS INC. (US) 2004-08-12 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-20040229874-A1 5HT7 Antagonists and inverse agonists HTR7, HTR1A, HTR1B HRH4 236/4885CXCR3 1321/4885P2RX7 82/4885

“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.