SCHEMBL16669657

SCHEMBL16669657

CCN1C[C@@H]2C[C@H]1CN2c1cc2ccccc2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.45
LMNA P02545 2/20 0.41
MAOB P27338 5/20 0.40
KDM4E B2RXH2 4/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CYP1A2 P05177 1/20 0.40
NT5E P21589 1/20 0.40
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 1/20 0.39
MAOA P21397 2/20 0.39
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
TSHR P16473 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
GPR35 Q9HC97 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
SCHEMBL16669677 0.85 KDM4E (0.41) DRD3LMNAMAOBKDM4ECA12
SCHEMBL21524868 0.74 HRH4 (0.45) MAOBKDM4ECA12CA9ALDH1A1
SCHEMBL3553721 0.69 MAP3K12 (0.34)
SCHEMBL8012152 0.69 DRD3 (0.40) DRD3
SCHEMBL15068569 0.67 KDM4E (0.43) LMNAMAOBKDM4ECA12CA9
SCHEMBL15068474 0.67 HPGD (0.43) LMNAMAOBKDM4ECA12CA9
SCHEMBL15068505 0.65 ALDH1A1 (0.43) LMNAMAOBKDM4ECA12CA9
SCHEMBL15066938 0.65 ALDH1A1 (0.43) LMNAMAOBKDM4ECA12CA9
SCHEMBL17144366 0.65 HSD17B10 (0.55) LMNAMAOBKDM4ECA12CA9
SCHEMBL29044069 0.65 HPGD (0.50) LMNAMAOBKDM4ECA12CA9

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 3 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

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 DRD3 4769/4885LMNA 251/4885MAOB 1733/4885

“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.