SCHEMBL3425554

SCHEMBL3425554

Clc1cccc(COc2ccc(CNC[C@H]3CCCCO3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
GID4 Q8IVV7 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAOB P27338 4/20 0.49
CCR5 P51681 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL3426729 1.00 KMT2A (0.57) KMT2AGID4ATML3MBTL1SMN1; SMN2
SCHEMBL3425556 1.00 KMT2A (0.57) KMT2AGID4ATML3MBTL1SMN1; SMN2
SCHEMBL3425884 0.97 KMT2A (0.61) KMT2AGID4ATML3MBTL1SMN1; SMN2
SCHEMBL3423853 0.97 KMT2A (0.61) KMT2AGID4ATML3MBTL1SMN1; SMN2
SCHEMBL3423855 0.97 KMT2A (0.61) KMT2AGID4ATML3MBTL1SMN1; SMN2
SCHEMBL3423798 0.87 ATM (0.68) KMT2AATML3MBTL1SMN1; SMN2MAOB
SCHEMBL3425487 0.87 ATM (0.68) KMT2AATML3MBTL1SMN1; SMN2MAOB
SCHEMBL3423796 0.87 ATM (0.68) KMT2AATML3MBTL1SMN1; SMN2MAOB
SCHEMBL3424000 0.84 ATM (0.73) KMT2AATML3MBTL1SMN1; SMN2MAOB
SCHEMBL3427290 0.84 ATM (0.73) KMT2AATML3MBTL1SMN1; SMN2MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649005-B2 (R)(4-Pentyloxy-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine; monoamine oxidase inhibitors; neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-01-19 US claimed
US-20070135496-A1 Substituted benzylaminoalkylene heterocycles NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-14 US claimed
US-7649005-B2 (R)(4-Pentyloxy-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine; monoamine oxidase inhibitors; neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-01-19 US disclosed
US-20070135496-A1 Substituted benzylaminoalkylene heterocycles NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-14 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-20070135496-A1 Substituted benzylaminoalkylene heterocycles HTR7, MAOB, CYP2A7 KMT2A 3724/4885GID4 3016/4885ATM 4654/4885

“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.