SCHEMBL15080211

SCHEMBL15080211

NC1=NC2(CCC1)CCc1c(cccc1-c1cncnc1)C2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.36
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15353768 0.84 ADRA2A (0.41) BACE1KCNH2TAAR1ADRA2ACYP11B1
SCHEMBL15216779 0.81 CYP11B1 (0.33) BACE1KCNH2ALDH1A1KMT2ACYP11B1
SCHEMBL15216778 0.81 CYP11B1 (0.33) BACE1KCNH2ALDH1A1KMT2ACYP11B1
SCHEMBL15216781 0.81 CYP11B1 (0.33) BACE1KCNH2ALDH1A1KMT2ACYP11B1
SCHEMBL7922911 0.81 TAAR1 (0.42) BACE1KCNH2TAAR1ADRA2A
SCHEMBL7923832 0.81 TAAR1 (0.49) BACE1KCNH2TAAR1ADRA2A
SCHEMBL7928655 0.81 TAAR1 (0.49) BACE1KCNH2TAAR1ADRA2A
SCHEMBL7928648 0.81 TAAR1 (0.49) BACE1KCNH2TAAR1ADRA2A
SCHEMBL7917980 0.80 TAAR1 (0.54) BACE1KCNH2TAAR1ADRA2A
SCHEMBL7916818 0.80 CYP11B1 (0.33) BACE1KCNH2TAAR1ADRA2ACYP11B1

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-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2013-08-29 US disclosed
US-8476274-B2 Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-07-02 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-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A BACE1 2333/4885KCNH2 884/4885ALDH1A1 446/4885

“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.