SCHEMBL15080210

SCHEMBL15080210

CC1=N[C@]2(CCc3c(cccc3-c3ccccc3)C2)CN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.39
HTR1A P08908 4/20 0.38
HTR7 P34969 4/20 0.38
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
ANPEP P15144 1/20 0.32
IL1RN P18510 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
CARM1 Q86X55 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15080208 1.00 PRCP (0.39) PRCPHTR1AHTR7PARP10PARP11
SCHEMBL12203536 0.91 ALDH1A1 (0.35) PRCPPARP10PARP11KMT2AALDH1A1
SCHEMBL12203529 0.88 CYP11B1 (0.42) PARP10PARP11ALDH1A1
SCHEMBL7925882 0.87 CYP11B1 (0.33) KMT2AALDH1A1
SCHEMBL7924554 0.87 CYP11B1 (0.33) KMT2AALDH1A1
SCHEMBL7916694 0.87 CYP11B1 (0.33) KMT2AALDH1A1
SCHEMBL7917860 0.85 PRCP (0.39) PRCPHTR1AHTR7PARP10PARP11
SCHEMBL7922789 0.85 PRCP (0.39) PRCPHTR1AHTR7PARP10PARP11
SCHEMBL12203540 0.85 PIM1 (0.32)
SCHEMBL7924612 0.85 PDCD1 (0.35)

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 PRCP 3028/4885HTR1A 95/4885HTR7 146/4885

“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.