SCHEMBL9948910

SCHEMBL9948910

Cc1ccc(S(=O)(=O)n2cc(CN3CCC4(CCN(C(=O)OC(C)(C)C)C4)C3=O)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.49
CYP19A1 P11511 1/20 0.44
ALOX5 P09917 2/20 0.43
ALK Q9UM73 1/20 0.43
USP30 Q70CQ3 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9949211 0.96 HTR6 (0.47) HTR6CYP19A1ALOX5ALKUSP30
SCHEMBL2030083 0.91 HTR6 (0.49) HTR6CYP19A1ALOX5ALKCYP3A4
SCHEMBL10187155 0.78 HTR6 (0.56) HTR6CYP19A1ALKCYP3A4CYP2D6
SCHEMBL31295102 0.78 HTR6 (0.53) HTR6ALOX5ALK
Hydrochloric Acid SCHEMBL9948705 0.77 HTR6 (0.55) HTR6CYP19A1ALKCYP3A4CYP2D6
SCHEMBL2131067 0.77 HTR6 (0.49) HTR6CYP19A1ALOX5ALKCYP3A4
SCHEMBL2027090 0.77 HTR6 (0.46) HTR6CYP19A1ALOX5ALK
SCHEMBL9948692 0.75 HCRTR1 (0.51) HTR6CYP19A1ALKCYP3A4CYP2D6
SCHEMBL2023408 0.75 HTR6 (0.56) HTR6CYP19A1ALKCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9949887 0.73 HTR6 (0.53) HTR6CYP19A1ALKCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 HTR6 1928/4885CYP19A1 1037/4885ALOX5 1386/4885

“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.