SCHEMBL4752822

SCHEMBL4752822

Cc1ccc(S(=O)(=O)N2CCC3(CCCC3N)Cc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
TSHR P16473 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
HCRTR1 O43613 1/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
HTR6 P50406 1/20 0.40

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
SCHEMBL7931094 0.88 LMNA (0.46) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL5000772 0.88 LMNA (0.41) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL4754875 0.85 LMNA (0.43) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL7934462 0.78 KMT2A (0.45) LMNATSHRSMN1; SMN2MAPTKMT2A
SCHEMBL4101227 0.77 ALDH1A1 (0.46) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL13076801 0.75 LMNA (0.46) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL8200410 0.74 MEN1 (0.42) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4752501 0.74 AKR1B1 (0.47) SMN1; SMN2MAPTKMT2AMEN1ATM
SCHEMBL8193103 0.74 TP53 (0.44) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL17158256 0.73 KMT2A (0.49) LMNATSHRSMN1; SMN2ALDH1A1MAPT

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-2008154347-A1 SPIROBENZOAZEPINES AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 WO disclosed
WO-2008154347-A1 SPIROBENZOAZEPINES AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 WO disclosed
US-20080306044-A1 SPIROBENZOAZEPANES AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 US disclosed
US-20080306044-A1 SPIROBENZOAZEPANES AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 US disclosed
US-20080306044-A1 SPIROBENZOAZEPANES AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 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-20080306044-A1 SPIROBENZOAZEPANES AS VASOPRESSIN ANTAGONISTS AVPR2, AVPR1B, AVPR1A LMNA 1330/4885TSHR 211/4885SMN1; SMN2 4851/4885

“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.