SCHEMBL6700742

SCHEMBL6700742

CN1CCN(c2ncccc2-c2ccc(Cn3ccc4cc(F)ccc43)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
HTR3E A5X5Y0 4/20 0.43
HTR3B O95264 4/20 0.43
HTR3A P46098 4/20 0.43
HTR3D Q70Z44 4/20 0.43
HTR3C Q8WXA8 4/20 0.43
MLNR O43193 1/20 0.42
USP1 O94782 2/20 0.41
METAP2 P50579 2/20 0.41
STAT6 P42226 1/20 0.41
HTR1A P08908 3/20 0.39
HTR2C P28335 1/20 0.39
ELANE P08246 1/20 0.39
TNIK Q9UKE5 1/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
CSNK1D P48730 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL6692106 0.89 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6695065 0.89 HTR7 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6700106 0.87 KMT2A (0.46) PTGDR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL6226643 0.82 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6224819 0.77 CYP1A2 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6225287 0.76 BRD4 (0.45) METAP2HTR6
SCHEMBL6696187 0.75 USP1 (0.44) PTGDR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL6223653 0.75 CYP11B1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6249947 0.74 BRD4 (0.44) METAP2HTR6
SCHEMBL6248272 0.73 CYP11B1 (0.50)

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 2 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
US-20040229874-A1 5HT7 Antagonists and inverse agonists PFIZER INC. 2004-11-18 US 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 PTGDR2 225/4885HTR3E 20/4885HTR3B 4/4885

“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.