SCHEMBL4408041

SCHEMBL4408041

CC1C(=O)Nc2c(N)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
HTR5A P47898 3/20 0.35
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR2C P28335 2/20 0.35
HTR7 P34969 2/20 0.35
CD44 P16070 1/20 0.34
CACNB4 O00305 2/20 0.34
CACNA1A O00555 2/20 0.34
CACNA1G O43497 2/20 0.34
CACNG3 O60359 2/20 0.34
CACNA1F O60840 2/20 0.34
CACNA1H O95180 2/20 0.34
CACNB3 P54284 2/20 0.34
CACNA2D1 P54289 2/20 0.34
CACNG7 P62955 2/20 0.34
CACNA1B Q00975 2/20 0.34
CACNA1D Q01668 2/20 0.34
CACNB1 Q02641 2/20 0.34
CACNG1 Q06432 2/20 0.34

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
SCHEMBL24112230 0.81 ALDH1A1 (0.43) PGRHTR2CALDH1A1CREBBPPDE3B
SCHEMBL24112725 0.81 ALDH1A1 (0.43) PGRHTR2CALDH1A1CREBBPPDE3B
SCHEMBL24112933 0.79 PGR (0.49) PGRHTR2CCACNB4CACNA1ACACNA1G
SCHEMBL24112226 0.79 PGR (0.49) PGRHTR2CCACNB4CACNA1ACACNA1G
SCHEMBL24112851 0.79 MEN1 (0.42) PGRHTR2CALDH1A1PDK2PDK4
SCHEMBL24112722 0.79 MEN1 (0.42) PGRHTR2CALDH1A1PDK2PDK4
SCHEMBL11616273 0.74 GID4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4983012 0.74 ADORA2A (0.40) PGRHTR5APARP1BRPF1CREBBP
SCHEMBL15730214 0.73 KDM4E (0.43) PGRHTR2CALDH1A1ALOX15CREBBP
SCHEMBL14550569 0.72 ACHE (0.40) HTR5ACD44ALDH1A1TSHRCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 US disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO 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-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 PGR 1223/4885HTR5A 2168/4885HTR1A 2350/4885

“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.