SCHEMBL2466397

SCHEMBL2466397

COc1ccc(Cn2cnc(CCN)c3nc(C(C)C)nc2-3)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.50
PDE4B Q07343 20/20 0.50
PDE4C Q08493 20/20 0.50
PDE4D Q08499 20/20 0.50

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
Hydrochloric Acid SCHEMBL4014079 0.99 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL1918433 0.90 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL30074724 0.90 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL2466398 0.87 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL2466399 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6155742 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL6155940 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7381565 0.84 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6154541 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL7380391 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803760-B2 Methods of inducing ovulation MERCK SERONO SA (CH) 2010-09-28 US claimed
US-20080293622-A1 METHODS OF INDUCING OVULATION MERCK SERONO SA (CH) 2008-11-27 US claimed
US-6953774-B2 Methods of inducing ovulation APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-10-11 US claimed
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator MERCK SERONO SA (CH) 2005-07-07 US claimed
US-20020103106-A1 Methods of inducing ovulation MERCK SERONO SA (CH) 2002-08-01 US claimed
EP-1908463-B1 Methods of inducing ovulation using a non-polypeptide camp level modulator MERCK SERONO SA (CH) 2011-09-28 EP disclosed
US-7507707-B2 Methods of inducing ovulation using a non-polypeptide camp level modulator LABORATOIRES SERONO SA (CH) 2009-03-24 US disclosed
US-7364910-B2 Methods of inducing ovulation APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-04-29 US disclosed
EP-1908463-A2 Methods of inducing ovulation using a non-polypeptide camp level modulator Laboratoires Serono SA (CH) 2008-04-09 EP disclosed
US-20060293222-A1 METHODS OF INDUCING OVULATION MERCK SERONO SA (CH) 2006-12-28 US disclosed
US-7078236-B2 Methods of inducing ovulation APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2006-07-18 US disclosed
US-20060003925-A1 Methods of inducing ovulation MERCK SERONO SA (CH) 2006-01-05 US disclosed
US-6953774-B2 Methods of inducing ovulation APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-10-11 US disclosed
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator MERCK SERONO SA (CH) 2005-07-07 US disclosed
EP-1463493-A1 METHODS OF INDUCING OVULATION-USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR Applied Research Systems ARS Holding N.V. (AN) 2004-10-06 EP disclosed
WO-2003051344-A1 METHODS OF INDUCING OVULATION_USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-06-26 WO disclosed
US-20020103106-A1 Methods of inducing ovulation MERCK SERONO SA (CH) 2002-08-01 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 (5 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-20060293222-A1 METHODS OF INDUCING OVULATION PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20060003925-A1 Methods of inducing ovulation PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20020103106-A1 Methods of inducing ovulation PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20080293622-A1 METHODS OF INDUCING OVULATION PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 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.