SCHEMBL1638227

SCHEMBL1638227

CCCN(CCC)Cc1cccc(C(=O)CNc2cc(C(=O)OC)ccc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ TLR7 Q9NYK1 5/20 0.43
▸ LNPEP Q9UIQ6 4/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ MEP1B Q16820 1/20 0.41
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ SLC7A5 Q01650 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ NR3C1 P04150 1/20 0.38

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
SCHEMBL1638440 0.86 HDAC1 (0.52) LOXL2TLR7LNPEPERAP2MEP1B
SCHEMBL1638524 0.82 LOXL2 (0.59) LOXL2MEP1BCYP4F2CYP4A11SLC7A5
SCHEMBL1638230 0.79 LOXL2 (0.45) LOXL2TLR7LNPEPMEP1BCYP4F2
SCHEMBL3350068 0.78 CYP4F2 (0.59) LOXL2MEP1BCYP4F2CYP4A11SLC7A5
SCHEMBL10106423 0.74 LOXL2 (0.64) LOXL2MEP1BCYP4F2CYP4A11SLC7A5
SCHEMBL6328346 0.71 TSHR (0.50) MEP1B
SCHEMBL1205232 0.71 LNPEP (0.57) LNPEPERAP2ALDH1A1KDM4ERAB9A
SCHEMBL2014323 0.71 LNPEP (0.56) LNPEPERAP2ALDH1A1KDM4EMAPT
SCHEMBL22145186 0.71 LOXL2 (0.54) LOXL2TLR7MEP1BCYP4F2CYP4A11
SCHEMBL23286785 0.71 CA1 (0.61) LOXL2LNPEPERAP2ALDH1A1KDM4E

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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 — — US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 — — US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 — — US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 — — EP 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 LOXL2 4133/4885TLR7 761/4885LNPEP 4384/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 LOXL2 3824/4885TLR7 778/4885LNPEP 4503/4885

“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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