SCHEMBL15068550

SCHEMBL15068550

CN1CCCN(c2cc(F)c3cc(-c4cc(F)cc(F)c4)c(=O)oc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.37
KCNH2 Q12809 1/20 0.36
CCR4 P51679 8/20 0.35
MTHFD2 P13995 1/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
IP6K1 Q92551 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL16674778 0.89 IP6K1 (0.36) CCR4ALDH1A1IP6K1
SCHEMBL15069306 0.83 MAPT (0.44) CCR4TGFBR1ACVR1LMNA
SCHEMBL15066871 0.83 ADRB1 (0.37) RPS6KA3KCNH2CCR4TGFBR1ACVR1
SCHEMBL27261022 0.81 LMNA (0.44) CCR4ALDH1A1LMNA
SCHEMBL30708174 0.79 MIF (0.42) ALDH1A1HRH4LMNA
SCHEMBL27261020 0.79 MIF (0.42) ALDH1A1HRH4LMNA
SCHEMBL15066928 0.78 RXFP1 (0.47) CCR4TGFBR1ACVR1LMNA
SCHEMBL15068540 0.78 HRH4 (0.37) CCR4MTHFD2HRH4
SCHEMBL27262423 0.77 PIK3C3 (0.42) CCR4ALDH1A1CYP3A4HRH4LMNA
SCHEMBL15068477 0.76 DGAT1 (0.36) KCNH2MTHFD2ALDH1A1LMNA

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 17 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 claimed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP claimed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US claimed
WO-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO claimed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US claimed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP claimed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO claimed
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
WO-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO disclosed
WO-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US 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 RPS6KA3 1705/4885KCNH2 4740/4885CCR4 3976/4885

“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.