SCHEMBL6705597

SCHEMBL6705597

Brc1ccccc1-c1ccc(Cn2ccc3cccnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
KMT2A Q03164 2/20 0.39
HTR6 P50406 2/20 0.37
DAO P14920 1/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
KDR P35968 1/20 0.35
CYP2C19 P33261 2/20 0.35
CXCR2 P25025 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ATM Q13315 1/20 0.34
HDAC1 Q13547 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
SCHEMBL38652446 0.82 MTNR1A (0.45) MTNR1AKMT2AHTR6DAOP2RX7
SCHEMBL38652062 0.80 KMT2A (0.49) MTNR1AKMT2AHTR6DAOP2RX7
SCHEMBL324010 0.80 KMT2A (0.49) MTNR1AKMT2AHTR6DAOP2RX7
SCHEMBL6691960 0.80 HTR6 (0.59) KMT2AHTR6ALDH1A1MAPK1HDAC1
SCHEMBL15142922 0.78 PKM (0.51) MTNR1AKMT2AHTR6DAOALDH1A1
SCHEMBL6225474 0.77 HRH4 (0.39) MTNR1AP2RX7ALDH1A1
SCHEMBL9278020 0.76 TP53 (0.45) MTNR1AKMT2ADAOALDH1A1CYP2C19
SCHEMBL27728695 0.76 CYP11B1 (0.48) MTNR1AKMT2ADAOP2RX7SLC22A12
SCHEMBL6226643 0.76 HTR3E (0.42) MTNR1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL28251110 0.73 LMNA (0.47) MTNR1ACYP2C19KDM4ECYP1A2CYP2D6

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-20040229874-A1 5HT7 Antagonists and inverse agonists PFIZER INC. 2004-11-18 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-20040229874-A1 5HT7 Antagonists and inverse agonists HTR7, HTR1A, HTR1B MTNR1A 86/4885KMT2A 2767/4885HTR6 13/4885

“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.