SCHEMBL6285584

SCHEMBL6285584

Cc1cccc(CN(C(=O)OC(C)(C)C)c2cncc(N3CCNCC3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.41
PIM2 Q9P1W9 4/20 0.36
HTR2C P28335 6/20 0.36
HTR2A P28223 5/20 0.36
HTR2B P41595 3/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
HTR1A P08908 3/20 0.35
DRD3 P35462 2/20 0.35
AOC3 Q16853 1/20 0.35
CHRM4 P08173 1/20 0.35
ADRB1 P08588 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
FPR3 P25089 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1E P28566 1/20 0.35

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
SCHEMBL6284840 0.83 HTR2C (0.51) PIM2HTR2CHTR2AHTR2BHTR1A
SCHEMBL6284103 0.82 HTR2C (0.53) PIM2HTR2CHTR2AHTR2BHTR1A
SCHEMBL6285560 0.82 HTR2C (0.45) PIM2HTR2CHTR2AHTR2BHTR1A
SCHEMBL6285734 0.80 HDAC1 (0.35) MAPKAPK2HTR2CMEN1CYP1A2CYP3A4
SCHEMBL6278048 0.79 HTR2C (0.40) PIM2HTR2CHTR2AHTR2BHTR1A
SCHEMBL6282988 0.79 HTR2C (0.42) MAPKAPK2PIM2HTR2CHTR2AHTR2B
SCHEMBL6278772 0.77 CKS1B (0.47) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL905821 0.70 HTR2C (0.61) PIM2HTR2CHTR2AHTR2BKCNH2
SCHEMBL19512685 0.69 HDAC1 (0.45) CHRM1CHRM3KDM4EMEN1ALDH1A1
SCHEMBL905862 0.68 HTR2C (0.56) PIM2HTR2CHTR2AHTR2BHTR1A

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-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 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 (3 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A MAPKAPK2 2617/4885PIM2 4778/4885HTR2C 4/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A MAPKAPK2 2617/4885PIM2 4778/4885HTR2C 4/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A MAPKAPK2 2617/4885PIM2 4762/4885HTR2C 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.