SCHEMBL6320875

SCHEMBL6320875

COc1ccc2c(c1)C(CCc1ccc(F)cc1)NCC2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.54
HTR2C P28335 3/20 0.46
HTR2B P41595 2/20 0.46
HTR2A P28223 2/20 0.46
KMT2A Q03164 2/20 0.46
BCHE P06276 1/20 0.42
GRIN2D O15399 4/20 0.42
GRIN3B O60391 4/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
GRIN2B Q13224 4/20 0.42
GRIN2C Q14957 4/20 0.42
GRIN3A Q8TCU5 4/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4029481 0.84 KDM4C (0.67) KDM4CKMT2ABCHEKDM4EMEN1
SCHEMBL6392691 0.81 KMT2A (0.70) KDM4CKMT2ABCHEGRIN2DGRIN3B
SCHEMBL9411283 0.80 GID4 (0.59) KMT2AMEN1MAPT
SCHEMBL6392485 0.79 KDM4C (0.49) KDM4CKMT2ABCHEKDM4EMAPT
SCHEMBL7744268 0.78 GRIN2B (0.47) HTR2CKMT2AGRIN1GRIN2BMEN1
SCHEMBL12635434 0.77 SLC6A3 (0.55) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10349437 0.76 ADRB2 (0.52) HTR2CHTR2BHTR2AKMT2ABCHE
SCHEMBL10348629 0.76 BCHE (0.61) KMT2ABCHEKDM4EMEN1MAPT
SCHEMBL10348907 0.75 SLC22A1 (0.63) BCHEKDM4EMAPTPKM
SCHEMBL4028613 0.75 KMT2A (0.56) KDM4CKMT2ABCHEGRIN2DGRIN3B

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 6 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-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
US-20040235891-A1 Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO 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 (2 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 KDM4C 1141/4885HTR2C 3751/4885HTR2B 4572/4885
US-20040235891-A1 Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists MTNR1A, MTNR1B, PER2 KDM4C 3247/4885HTR2C 9/4885HTR2B 27/4885

“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.