SCHEMBL6698282

SCHEMBL6698282

COc1cccc(CCNC(=O)NC(=N)NCc2cccc3ccccc23)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.47
PTPN1 P18031 1/20 0.46
MTNR1B P49286 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL6703757 0.83 MAPT (0.57) CYP1A2CYP3A4CYP2D6MAPTPKM
SCHEMBL6702167 0.79 TDP1 (0.53) MTNR1ACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL6703871 0.79 CA12 (0.52) MTNR1AMAPTKMT2AMEN1MTNR1B
SCHEMBL6703764 0.77 MTNR1A (0.50) MTNR1AMAPTKMT2AMEN1PTPN1
SCHEMBL6696307 0.77 MEN1 (0.62) CYP2D6MAPTCYP2C19CACNA1BAPBA1
SCHEMBL6703743 0.76 MEN1 (0.51) MTNR1AMAPTKMT2AMEN1CA12
SCHEMBL6864860 0.76 MTNR1A (0.51) MTNR1AMAPTKMT2AMEN1PTPN1
SCHEMBL6702001 0.76 MTNR1A (0.59) MTNR1AMAPTKMT2AMEN1ATM
SCHEMBL13853573 0.76 CA12 (0.57) MTNR1AMAPTKMT2AMEN1MTNR1B
SCHEMBL6702035 0.75 KMT2A (0.55) MTNR1AMAPTKMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HONG YUFENG (US) 2004-03-04 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-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HTR7, HTR1A, HTR2C MTNR1A 97/4885CYP1A2 503/4885CYP3A4 460/4885

“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.