SCHEMBL3239294

SCHEMBL3239294

CCOc1ccc2c(c1)C(C)(c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1Cl)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.56
DRD2 P14416 5/20 0.40
DRD4 P21917 5/20 0.40
DRD3 P35462 4/20 0.40
UBE2N P61088 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
MAP3K7 O43318 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
DDR1 Q08345 1/20 0.37
F10 P00742 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL3235137 0.96 AVPR1A (0.57) AVPR1ADRD2DRD4DRD3LMNA
SCHEMBL3227252 0.92 AVPR1A (0.57) AVPR1ALMNASMN1; SMN2F10RAB9A
SCHEMBL3236940 0.90 AVPR1A (0.65) AVPR1AUBE2NLMNASMN1; SMN2CYP2D6
SCHEMBL3222842 0.89 AVPR1A (0.55) AVPR1ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL3235348 0.89 AVPR1A (0.51) AVPR1ADRD2DRD3LMNACYP2C9
SCHEMBL3231628 0.89 AVPR1A (0.53) AVPR1ASMN1; SMN2CYP2C9RAB9AKDM4E
SCHEMBL3233606 0.88 AVPR1A (0.55) AVPR1ALMNASMN1; SMN2RAB9AKDM4E
SCHEMBL3238642 0.88 AVPR1A (0.57) AVPR1AALDH1A1
SCHEMBL3232071 0.87 AVPR1A (0.51) AVPR1ADRD2DRD4DRD3LMNA
SCHEMBL3233637 0.86 AVPR1A (0.55) AVPR1ALMNASMN1; SMN2KDM4EHPGD

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 2/4885DRD2 158/4885DRD4 261/4885

“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.