SCHEMBL6477076

SCHEMBL6477076

CCOc1cc2c(cc1OC)C(=CC(=O)O)NCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
ABCC4 O15439 1/20 0.55
ABCB11 O95342 1/20 0.55
CHRM2 P08172 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
ACHE P22303 1/20 0.55
PTGS1 P23219 1/20 0.55
PDE4A P27815 1/20 0.55
SLC6A4 P31645 1/20 0.55
KCNH2 Q12809 1/20 0.55
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PDE4D Q08499 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6486669 1.00 KMT2A (0.59) KMT2AMEN1ABCC4ABCB11CHRM2
SCHEMBL6486662 1.00 KMT2A (0.59) KMT2AMEN1ABCC4ABCB11CHRM2
SCHEMBL6477072 1.00 KMT2A (0.59) KMT2AMEN1ABCC4ABCB11CHRM2
SCHEMBL6477068 1.00 KMT2A (0.59) KMT2AMEN1ABCC4ABCB11CHRM2
SCHEMBL6486660 1.00 KMT2A (0.59) KMT2AMEN1ABCC4ABCB11CHRM2
SCHEMBL6476999 0.91 KMT2A (0.68) KMT2AMEN1ABCC4ABCB11CHRM2
SCHEMBL6476988 0.91 KMT2A (0.68) KMT2AMEN1ABCC4ABCB11CHRM2
SCHEMBL6476994 0.91 KMT2A (0.68) KMT2AMEN1ABCC4ABCB11CHRM2
SCHEMBL6485832 0.90 KMT2A (0.56) KMT2AMEN1ABCC4ABCB11CHRM2
SCHEMBL6485825 0.90 KMT2A (0.56) KMT2AMEN1ABCC4ABCB11CHRM2

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-6930114-B2 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-16 US disclosed
US-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-07-15 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-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors PDE7B, PDE2A, PDE5A KMT2A 1344/4885MEN1 2026/4885ABCC4 3111/4885

“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.