SCHEMBL24178807

SCHEMBL24178807

O=C1NCC12CCC(CCCCNCc1ccccc1)CC2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.59
MAOA P21397 1/20 0.45
CHRM2 P08172 1/20 0.44
ACHE P22303 4/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
NCOR2 Q9Y618 2/20 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
SCHEMBL24178875 0.75 SIGMAR1 (0.46) SIGMAR1MAOAACHE
SCHEMBL19853699 0.75 GRIN2B (0.54) ACHE
SCHEMBL8084099 0.74 SIGMAR1 (1.00) SIGMAR1MAOACHRM2
SCHEMBL24178962 0.74 BCHE (0.46) MAOACHRM2ACHE
SCHEMBL31547204 0.71 SIGMAR1 (0.88) SIGMAR1MAOACHRM2
SCHEMBL7041148 0.70 SIGMAR1 (0.58) SIGMAR1MAOACHRM2
SCHEMBL23023030 0.69 SIGMAR1 (0.52) SIGMAR1MAOACHRM2
SCHEMBL22495345 0.69 SIGMAR1 (0.63) SIGMAR1MAOACHRM2
SCHEMBL19853711 0.69 LMNA (0.36) CHRM2
SCHEMBL4932707 0.68 MAOA (0.95) SIGMAR1MAOACHRM2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-01-06 US disclosed
US-20170051041-A1 FACTOR VIII B CELL EPITOPE VARIANTS HAVING REDUCED IMMUNOGENICITY BLOODWORKS 2017-02-23 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 (2 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-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A SIGMAR1 115/4885MAOA 2003/4885CHRM2 572/4885
US-20170051041-A1 FACTOR VIII B CELL EPITOPE VARIANTS HAVING REDUCED IMMUNOGENICITY F8, F13B, F13A1 SIGMAR1 4717/4885MAOA 3235/4885CHRM2 4877/4885

“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.