SCHEMBL10116540

SCHEMBL10116540

CC1(C)C(=O)Nc2ccc(I)cc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.55
▸ PDK4 Q16654 1/20 0.55
▸ PGR P06401 12/20 0.54
▸ PDE3B Q13370 5/20 0.51
▸ PDE3A Q14432 5/20 0.51
▸ ATAD2 Q6PL18 1/20 0.47
▸ PDE4A P27815 4/20 0.47
▸ PDE4B Q07343 4/20 0.47
▸ PDE4C Q08493 4/20 0.47
▸ PDE4D Q08499 4/20 0.47

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
SCHEMBL31238681 1.00 PDK2 (0.55) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL2144278 0.85 PDK2 (0.55) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL31171938 0.84 TGM2 (0.39) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL10116531 0.81 TGM2 (0.41) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL31238639 0.78 CYP1A2 (0.57) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL2265773 0.78 CYP1A2 (0.57) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL18413652 0.78 TGM2 (0.49) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL520415 0.77 PDK2 (0.55) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL12072640 0.77 PDK2 (0.55) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL3878508 0.77 PDK2 (0.55) PDK2PDK4PGRPDE3BPDE3A

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
EP-3131893-B1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2020-02-12 — — EP disclosed
US-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 — — US disclosed
US-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-10 — — US disclosed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 — — 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-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS OXTR, AVPR2, AVPR1B PDK2 1654/4885PDK4 2676/4885PGR 322/4885
US-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof OXTR, AVPR2, AVPR1B PDK2 709/4885PDK4 1373/4885PGR 440/4885

“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.

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