SCHEMBL29869413

SCHEMBL29869413

Cc1ccc(CN2CCC(c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC18A3 Q16572 2/20 0.52
SIGMAR1 Q99720 1/20 0.52
MCHR1 Q99705 1/20 0.52
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
CHRM4 P08173 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL10556550 0.92 MEN1 (0.61) MEN1KMT2ASLC18A3SIGMAR1DRD2
SCHEMBL17432875 0.92 MEN1 (0.61) MEN1KMT2ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11499589 0.87 MEN1 (0.52) MEN1KMT2ASLC18A3SIGMAR1DRD2
SCHEMBL11453030 0.84 POLB (0.67) MEN1KMT2ASIGMAR1DRD2DRD4
SCHEMBL7329656 0.84 MEN1 (0.74) MEN1KMT2ASLC18A3SIGMAR1DRD2
SCHEMBL24460692 0.84 PDE2A (0.52) SLC18A3SIGMAR1DRD4
SCHEMBL5577360 0.84 MCHR1 (0.60) MEN1KMT2ASIGMAR1MCHR1CHRM4
Oxalic Acid SCHEMBL7329508 0.84 CHRM4 (0.60) MEN1KMT2ASLC18A3SIGMAR1CHRM4
SCHEMBL22361376 0.79 MEN1 (0.61) MEN1KMT2ADRD2DRD4ALDH1A1
SCHEMBL82298 0.79 ALDH1A1 (0.61) MEN1KMT2AALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 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 (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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY MEN1 80/4885KMT2A 672/4885SLC18A3 4619/4885

“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.