SCHEMBL3465741

SCHEMBL3465741

CNC1=NC2(CCC1)CCc1cc(OC)ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
ADRA2A P08913 2/20 0.41
LMNA P02545 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
AR P10275 2/20 0.34

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
SCHEMBL3465126 0.75 KDM1A (0.44) KDM1AADRA2ALMNACYP3A4CYP2C19
SCHEMBL4640481 0.68 KDM1A (0.61) KDM1AADRA2ALMNACYP2C19DRD2
SCHEMBL1495858 0.68 KDM1A (0.53) KDM1AADRA2ACYP3A4SMN1; SMN2DRD2
SCHEMBL30940163 0.67 SMN1; SMN2 (0.59) KDM1ALMNACYP2C19SMN1; SMN2
SCHEMBL31650219 0.66 KDM1A (0.58) KDM1AADRA2ALMNACYP3A4CYP2C19
SCHEMBL5749365 0.66 KDM1A (0.58) KDM1AADRA2ALMNACYP3A4CYP2C19
SCHEMBL19469584 0.66 SMN1; SMN2 (0.69) KDM1AADRA2ALMNACYP3A4CYP2C19
SCHEMBL19469633 0.66 SMN1; SMN2 (0.69) KDM1AADRA2ALMNACYP3A4CYP2C19
SCHEMBL19469587 0.66 SMN1; SMN2 (0.69) KDM1AADRA2ALMNACYP3A4CYP2C19
Hydrochloric Acid SCHEMBL23421993 0.65 KDM1A (0.50) KDM1AADRA2ACYP3A4SMN1; SMN2DRD2

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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 KDM1A 2819/4885ADRA2A 379/4885LMNA 1311/4885

“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.