SCHEMBL18791104

SCHEMBL18791104

CCOC(=O)CN1CCN(c2cc(-c3ccccc3OC)cnn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.51
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HTR7 P34969 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL18791038 0.89 CYP11B2 (0.64) CYP11B2TSHRALDH1A1SMN1; SMN2CYP11B1
SCHEMBL18791106 0.89 CYP11B2 (0.53) CYP11B2ALDH1A1SMN1; SMN2CYP11B1MEN1
SCHEMBL18791040 0.80 CYP11B2 (0.44) CYP11B2ALDH1A1CYP11B1MEN1KMT2A
SCHEMBL18790697 0.77 CYP11B2 (0.69) CYP11B2CYP11B1MEN1KMT2ADRD2
SCHEMBL18791103 0.75 HTR7 (0.58) ALDH1A1CDK9HTR1ADRD2DRD3
SCHEMBL18790695 0.75 CYP11B2 (0.67) CYP11B2CYP11B1MEN1KMT2ADRD2
SCHEMBL25408131 0.75 PKM (0.65) TSHRALDH1A1MEN1KMT2AHTR1A
SCHEMBL18790705 0.73 CYP11B2 (0.65) CYP11B2CYP11B1MEN1KMT2ADRD2
SCHEMBL18790694 0.71 CYP11B2 (0.61) CYP11B2SMN1; SMN2CYP11B1MEN1KMT2A
SCHEMBL18790989 0.70 CYP11B2 (0.46) CYP11B2ALDH1A1HTR1AHTR2CMAPT

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
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 — — 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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 CYP11B2 8/4885TSHR 703/4885MAPK1 728/4885

“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.

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