SCHEMBL6320205

SCHEMBL6320205

COc1ccc(CCNC(=O)CCc2ccc(F)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
LMNA P02545 1/20 0.68
FPR2 P25090 1/20 0.67
HPGD P15428 1/20 0.67
ALDH1A1 P00352 2/20 0.64
EPHX2 P34913 1/20 0.64

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
SCHEMBL6393365 0.91 MEN1 (0.64) POLBMEN1KMT2ALMNAFPR2
SCHEMBL23417615 0.85 POLB (0.77) POLBMEN1KMT2AALDH1A1
SCHEMBL4023394 0.84 KMT2A (0.79) POLBMEN1KMT2AALDH1A1
SCHEMBL275229 0.84 POLB (0.80) POLBMEN1KMT2AALDH1A1
SCHEMBL12773610 0.83 SMN1; SMN2 (0.75) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL3241452 0.83 RAB9A (0.68) MEN1KMT2ALMNAFPR2
SCHEMBL3279814 0.83 TAAR1 (0.74) KMT2AFPR2ALDH1A1
SCHEMBL3199349 0.82 POLB (0.78) POLBMEN1KMT2AALDH1A1
SCHEMBL10963023 0.82 POLB (0.78) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL13271651 0.82 HPGD (0.61) POLBMEN1KMT2ALMNAHPGD

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-6908931-B2 Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed
US-20040235891-A1 Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 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 (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-20040235891-A1 Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists MTNR1A, MTNR1B, PER2 POLB 2664/4885MEN1 762/4885KMT2A 265/4885

“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.