SCHEMBL3563582

SCHEMBL3563582

CN1CCN(CCCNC(=O)c2cc(-c3ncc(F)c4c(C(=O)C(=O)N5CCN(c6nnnn6-c6ccccc6)CC5)c[nH]c34)n[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.36
DRD2 P14416 7/20 0.36
HTR2A P28223 8/20 0.36
HTR1A P08908 7/20 0.36
HTR2C P28335 2/20 0.35
DRD3 P35462 2/20 0.35
KDM5B Q9UGL1 3/20 0.35
HRH1 P35367 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3569019 0.92 ALDH1A1 (0.36) ALDH1A1DRD2HTR2AHTR1AKDM5B
SCHEMBL13116969 0.92 CYP2C9 (0.42) MAPTALDH1A1DRD2HTR2AHTR1A
SCHEMBL13117319 0.91 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNA
SCHEMBL3565844 0.91 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3563185 0.90 NTRK1 (0.37) ALDH1A1KDM5B
SCHEMBL13117112 0.89 BTK (0.36) ALDH1A1LMNA
SCHEMBL13117094 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL13117113 0.88 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNA
SCHEMBL3560144 0.87 ALDH1A1 (0.35) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL13117114 0.87 ALDH1A1 (0.40) ALDH1A1DRD2DRD3SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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 (2 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-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS MAPT 2969/4885ALDH1A1 1424/4885DRD2 444/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS MAPT 2969/4885ALDH1A1 1424/4885DRD2 444/4885

“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.