SCHEMBL1129256

SCHEMBL1129256

COc1ccc2c(c1)OCC21CCCc2ncncc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.37
CTSD P07339 2/20 0.37
EGFR P00533 2/20 0.36
KMT2A Q03164 1/20 0.36
EHMT2 Q96KQ7 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
SCN9A Q15858 2/20 0.34
KDM1A O60341 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1129533 0.83 GRM4 (0.32) BACE1KCNH2
SCHEMBL1131394 0.80 KDM1A (0.34) BACE1KDM1ABACE2KCNH2CYP11B2
SCHEMBL31691254 0.70 S1PR5 (0.42) EHMT2SCN9AKDM4EALDH1A1CYP3A4
SCHEMBL31432432 0.66 S1PR5 (0.44) SCN9AKDM4EALDH1A1CYP3A4MAPK1
SCHEMBL1129532 0.66 GRM4 (0.34)
SCHEMBL1129004 0.66 EGFR (0.33) EGFRKMT2ANCOA1NCOA3KDM4E
SCHEMBL1129296 0.66 SCN9A (0.36) BACE1CTSDEHMT2SCN9AALDH1A1
SCHEMBL7293897 0.65 HTR2B (0.44) SCN9AKDM4EALDH1A1CYP3A4MAPK1
SCHEMBL31371738 0.65 HTR2B (0.44) SCN9AKDM4EALDH1A1CYP3A4MAPK1
SCHEMBL31371933 0.63 CA2 (0.40) BACE1EHMT2SCN9AKDM1A

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-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
EP-1896481-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-02-16 EP disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 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-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 BACE1 1643/4885CTSD 3954/4885EGFR 4036/4885

“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.