SCHEMBL16518014

SCHEMBL16518014

COc1cccc(C(C)(C)CNC(=O)C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
ALDH1A1 P00352 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL2501365 0.78 LMNA (0.46) HTTSMN1; SMN2NPC1LMNAMAPT
SCHEMBL15471187 0.77 MMP13 (0.65) HTTSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL8705771 0.76 KIF11 (0.46) HTTSMN1; SMN2NPC1LMNAMAPT
SCHEMBL2501471 0.76 LMNA (0.53) HTTSMN1; SMN2NPC1LMNAMAPT
SCHEMBL6583697 0.75 LMNA (0.44) HTTSMN1; SMN2NPC1LMNAMAPT
SCHEMBL12935919 0.74 MTNR1A (0.60) HTTSMN1; SMN2RAB9AMTNR1AMTNR1B
SCHEMBL6585390 0.74 LMNA (0.46) HTTSMN1; SMN2NPC1LMNAMAPT
SCHEMBL3435840 0.73 KIF11 (0.46) SMN1; SMN2NPC1LMNAMAPTMAPK1
SCHEMBL25460833 0.73 NPC1 (0.47) HTTSMN1; SMN2NPC1LMNAMAPT
SCHEMBL11499757 0.73 CHRM2 (0.45) HTTSMN1; SMN2NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2671869-B1 TETRAHYDROISOQUINOLINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2015-11-04 EP disclosed
CN-103339109-B Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC 2015-04-29 CN disclosed
US-8962612-B2 Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC. (JP) 2015-02-24 US disclosed
US-8962612-B2 Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC. (JP) 2015-02-24 US disclosed
EP-2671869-A1 TETRAHYDROISOQUINOLINE DERIVATIVE Astellas Pharma Inc. (JP) 2013-12-11 EP disclosed
US-20130317010-A1 TETRAHYDROISOQUINOLINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2013-11-28 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-20130317010-A1 TETRAHYDROISOQUINOLINE DERIVATIVE HTR5A, HTR2A, HTR1A HTT 155/4885SMN1; SMN2 4569/4885NPC1 1366/4885

“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.