SCHEMBL14038783

SCHEMBL14038783

CNC(=O)/C=C(/c1ccccc1)c1cc(F)c2c(c1)CCN2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.32
▸ FASN P49327 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ PTAFR P25105 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ PARP10 Q53GL7 1/20 0.30

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
SCHEMBL2300843 0.72 CYP2D6 (0.43) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL2300844 0.72 CYP2D6 (0.43) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL12427131 0.72 CYP2D6 (0.43) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL7493334 0.64 POLB (0.40) PARP10PARP11
SCHEMBL12065398 0.62 SLC6A2 (0.61) FASN
SCHEMBL12065514 0.62 SLC6A2 (0.61) FASN
SCHEMBL12427659 0.62 MAOB (0.53) MAPTSMN1; SMN2RAB9APTGS2
SCHEMBL2302638 0.62 MAOB (0.53) MAPTSMN1; SMN2RAB9APTGS2
SCHEMBL2304463 0.62 ESR1 (0.49) MAPTSMN1; SMN2RAB9A
SCHEMBL2304469 0.62 ESR1 (0.49) MAPTSMN1; SMN2RAB9A

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-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 — — US disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 — — 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR TRPV1 2181/4885FASN 4434/4885MAPT 3825/4885

“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.

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