SCHEMBL5845894

SCHEMBL5845894

CN1CCN(c2cccnc2OC2CCN(c3ccc(N4CCCCC4=O)cc3)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 1/20 0.40
GFER P55789 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDH1 O75874 1/20 0.36
ROCK2 O75116 2/20 0.36
TP53 P04637 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
FPR2 P25090 2/20 0.35
FPR1 P21462 1/20 0.35
AKR1C3 P42330 1/20 0.35
F10 P00742 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
SCHEMBL5759635 0.86 HPGD (0.40) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL5763136 0.85 MCHR1 (0.47) KDM4EROCK2
SCHEMBL5844743 0.85 KMT2A (0.38) MEN1KMT2ALMNASMN1; SMN2ROCK2
SCHEMBL5847052 0.85 P2RY1 (0.40) MEN1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL5846345 0.83 EGLN1 (0.39) MAPTROCK2
SCHEMBL5763103 0.83 HPGD (0.43) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL5761872 0.82 MCHR1 (0.50) MEN1KMT2ATSHRLMNAROCK2
SCHEMBL5759972 0.82 KDM4E (0.55) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL5760906 0.79 KDM4E (0.52) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL5757964 0.78 MCHR1 (0.38)

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-7101885-B2 1-(4-Bromo-phenyl)-3-[2-(4-methyl-piperazin-1-yl)-pyridin-3-yloxy]-pyrrolidin-2-one; antagonists of the serotonin 5HT1B receptor; treating depression PFIZER INC (US) 2006-09-05 US disclosed
US-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams PFIZER INC 2004-12-30 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-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams OPRD1, HTR5A, PTGDR KDM4E 2741/4885MAPT 2883/4885MEN1 1676/4885

“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.