SCHEMBL5651753

SCHEMBL5651753

COc1ccc2ncnc(OCC3CCC(C(N)c4cnc5ccccc5n4)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.38
CSF1R P07333 2/20 0.37
KIT P10721 4/20 0.37
MTNR1A P48039 1/20 0.36
EGFR P00533 3/20 0.36
ENPP1 P22413 1/20 0.35
FFAR1 O14842 1/20 0.35
KRAS P01116 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NQO2 P16083 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3689823 0.79 KCNH2 (0.44) MTNR1BCSF1RKITMTNR1AEGFR
SCHEMBL3117210 0.77 MTNR1B (0.46) MTNR1BCSF1RMTNR1AEGFRENPP1
SCHEMBL6218075 0.75 EGFR (0.40) MTNR1BCSF1RKITMTNR1AEGFR
SCHEMBL3118071 0.75 MTNR1B (0.48) MTNR1BCSF1RMTNR1AEGFRENPP1
SCHEMBL3251044 0.72 MTNR1B (0.53) MTNR1BMTNR1AEGFRENPP1ALDH1A1
SCHEMBL3251040 0.72 MTNR1B (0.53) MTNR1BMTNR1AEGFRENPP1ALDH1A1
SCHEMBL5649424 0.72 MTNR1B (0.47) MTNR1BCSF1RMTNR1AEGFRENPP1
SCHEMBL20023738 0.72 PDE10A (0.39) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3119598 0.72 EGFR (0.54) MTNR1BKITMTNR1AEGFRALDH1A1
SCHEMBL633222 0.71 MTNR1B (0.47) MTNR1BCSF1RKITMTNR1AEGFR

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-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 MTNR1B 2889/4885CSF1R 1269/4885KIT 4227/4885

“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.