SCHEMBL13157756

SCHEMBL13157756

Cc1ccc(C(=O)NCC(C)(C)CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPT P10636 4/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL14297358 0.86 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL19302966 0.85 EPHX2 (0.55) LMNAPOLBALDH1A1TDP1L3MBTL1
SCHEMBL6024562 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL12301890 0.82 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL14500184 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL6612799 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL20300612 0.82 CYP1A2 (0.47) RAB9ALMNAL3MBTL1MAPTHDAC6
SCHEMBL3815685 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13655599 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL16418403 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB

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-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 — — US disclosed
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 — — 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-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 NPC1 1831/4885RAB9A 1422/4885SMN1; SMN2 3720/4885

“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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