SCHEMBL3617869

SCHEMBL3617869

Cc1c(F)cccc1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KEAP1 Q14145 1/20 0.37
P2RX7 Q99572 1/20 0.36
RAB9A P51151 4/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NPC1 O15118 2/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL1364356 0.82 LMNA (0.42) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3620086 0.82 LMNA (0.40) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL1362694 0.78 MEN1 (0.41) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2581913 0.77 POLQ (0.42) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23341422 0.75 TAAR1 (0.47) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3461483 0.74 AKR1B1 (0.48) RIPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL5514821 0.73 KMT2A (0.48) RIPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL2340705 0.73 MEN1 (0.46) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1799391 0.73 MEN1 (0.46) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2518702 0.73 RIPK1 (0.40) RIPK1ALDH1A1KDM4EMEN1KMT2A

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-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 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-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 RIPK1 966/4885ALDH1A1 2938/4885KDM4E 4420/4885

“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.