SCHEMBL3231069

SCHEMBL3231069

CCOc1ccc2c(c1)C(C)(c1cc(C(=O)NCCN3CCC(O)CC3)ccc1Cl)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.47
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.36
GNRHR P30968 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR3 P51677 1/20 0.36
CCR2 P41597 6/20 0.36
CACNA1H O95180 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPT P10636 1/20 0.35
UBE2N P61088 1/20 0.35

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
SCHEMBL3238699 0.89 AVPR1A (0.44) AVPR1AKMT2AMEN1GNRHRLMNA
SCHEMBL3238705 0.89 AVPR1A (0.44) AVPR1AKMT2AMEN1GNRHRLMNA
SCHEMBL3230272 0.88 AVPR1A (0.42) AVPR1AKMT2AMEN1GNRHRLMNA
SCHEMBL3235299 0.87 AVPR1A (0.46) AVPR1AKMT2AMEN1LMNAKCNH2
SCHEMBL3233812 0.86 AVPR1A (0.46) AVPR1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3225093 0.86 MAPT (0.42) AVPR1AKMT2AMEN1GNRHRLMNA
SCHEMBL3228996 0.85 AVPR1A (0.44) AVPR1AKMT2AMEN1LMNAKCNH2
SCHEMBL3227252 0.85 AVPR1A (0.57) AVPR1AGLAL3MBTL1KMT2AHSD17B10
SCHEMBL3233778 0.85 AVPR1A (0.41) AVPR1AKMT2AMEN1GNRHRLMNA
SCHEMBL3228428 0.84 AVPR1A (0.43) AVPR1AKMT2AMEN1HSD17B10GNRHR

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
EP-2097374-B1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI AVENTIS (FR) 2010-06-09 EP claimed
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 US claimed
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 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-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AVPR2, AVPR1A, AVPR1B AVPR1A 2/4885GLA 3673/4885L3MBTL1 4871/4885

“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.