Sugi Predict

Sugi Predict / Compounds / SCHEMBL4589828

SCHEMBL4589828

SCHEMBL4589828

CN(C)C(=O)[C@@H]1CCCN1C1(c2ccccc2Cl)C(=O)Nc2c(F)cc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 7/20 0.39
▸ AVPR1B P47901 7/20 0.39
▸ AVPR1A P37288 6/20 0.39
▸ USP2 O75604 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CASP3 P42574 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ GPBAR1 Q8TDU6 2/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ AVPR2 P30518 1/20 0.33
▸ NTRK1 P04629 1/20 0.32

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
SCHEMBL4588818 0.97 OXTR (0.38) OXTRAVPR1BAVPR1AUSP2ALDH1A1
SCHEMBL4590180 0.82 BRD4 (0.40) OXTRAVPR1BAVPR1AUSP2ALDH1A1
SCHEMBL4588564 0.81 OXTR (0.43) OXTRAVPR1BAVPR1AUSP2ALDH1A1
SCHEMBL4588792 0.80 CASP3 (0.38) OXTRAVPR1BAVPR1AUSP2ALDH1A1
SCHEMBL4590176 0.78 BRD4 (0.38) OXTRAVPR1BAVPR1AMAPTTDP1
SCHEMBL4590303 0.78 OXTR (0.43) OXTRAVPR1BAVPR1AMAPTMAPK1
SCHEMBL4590183 0.78 CASP3 (0.38) OXTRAVPR1BAVPR1AUSP2ALDH1A1
SCHEMBL4590488 0.75 OXTR (0.39) OXTRAVPR1BAVPR1ACASP3BRD4
SCHEMBL2495591 0.74 OXTR (0.50) OXTRAVPR1BAVPR1ACASP3BRD4
SCHEMBL4590498 0.74 OXTR (0.43) OXTRAVPR1BAVPR1ACASP3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425566-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2008-09-16 — — US disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 — — US disclosed
US-6864277-B2 1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-08 — — US disclosed
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 — — 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 (2 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-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 OXTR 12/4885AVPR1B 1/4885AVPR1A 2/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A OXTR 9/4885AVPR1B 1/4885AVPR1A 3/4885

“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.