SCHEMBL3235299

SCHEMBL3235299

CCOc1ccc2c(c1)C(C)(c1cc(C(=O)NC3CCN(C)CC3)ccc1Cl)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.46
ALDH1A1 P00352 2/20 0.41
SLC6A5 Q9Y345 2/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
SSTR5 P35346 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
CNR2 P34972 1/20 0.37
CRHR1 P34998 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
SCHEMBL3233812 0.94 AVPR1A (0.46) AVPR1AALDH1A1LMNAMEN1KMT2A
SCHEMBL3238699 0.93 AVPR1A (0.44) AVPR1AALDH1A1LMNAMEN1KMT2A
SCHEMBL3238705 0.93 AVPR1A (0.44) AVPR1AALDH1A1LMNAMEN1KMT2A
SCHEMBL3228996 0.92 AVPR1A (0.44) AVPR1AALDH1A1SLC6A5LMNAMEN1
SCHEMBL3238642 0.91 AVPR1A (0.57) AVPR1AALDH1A1SLC6A5KMT2ACNR2
SCHEMBL3230257 0.91 AVPR1A (0.43) AVPR1AALDH1A1LMNAMEN1KMT2A
SCHEMBL3230253 0.91 AVPR1A (0.43) AVPR1AALDH1A1LMNAMEN1KMT2A
SCHEMBL3228428 0.88 AVPR1A (0.43) AVPR1AALDH1A1LMNAMEN1KMT2A
SCHEMBL3231069 0.87 AVPR1A (0.47) AVPR1ALMNAMEN1KMT2AMAPT
SCHEMBL3230272 0.86 AVPR1A (0.42) AVPR1AALDH1A1LMNAMEN1KMT2A

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 2/4885ALDH1A1 3212/4885SLC6A5 954/4885

“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.