SCHEMBL15068516

SCHEMBL15068516

CCCc1c(N2CCNCC2)c2c(C)cccc2oc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.41
ADRB1 P08588 2/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD17B3 P37058 1/20 0.36
ELANE P08246 1/20 0.36
MAPT P10636 1/20 0.36
HTR1A P08908 2/20 0.36
HTR3A P46098 1/20 0.36
BRAF P15056 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL15069107 0.82 CCR4 (0.49) CCR4ADRB1KMT2AELANEMAPT
SCHEMBL15152365 0.79 TSHR (0.39) ADRB1ALDH1A1TSHRELANEHTR1A
SCHEMBL15068420 0.75 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL15068512 0.73 GABRA1 (0.40) TSHRHTR2C
SCHEMBL16671722 0.72 CCR4 (0.50) CCR4ALDH1A1LMNAKMT2AHSD17B10
SCHEMBL15068895 0.71 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL15068573 0.70 HRH4 (0.47) CCR4ADRB1LMNAMAPTHTR1A
SCHEMBL15069249 0.70 GAA (0.49) CCR4ALDH1A1LMNAKMT2AMEN1
SCHEMBL336283 0.68 ADRB1 (0.63) ADRB1ALDH1A1KMT2AMEN1HTT
SCHEMBL15068518 0.68 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO 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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 CCR4 3976/4885ADRB1 3415/4885ALDH1A1 1006/4885

“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.