SCHEMBL3208472

SCHEMBL3208472

Cc1ccc(CN2Cc3ccccc3N=C2N)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
CTSD P07339 3/20 0.41
TNF P01375 1/20 0.40
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
GRIN2B Q13224 3/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.33
BACE1 P56817 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3214965 0.87 SIGMAR1 (0.48) SIGMAR1CTSDSMN1; SMN2LMNAP2RX7
SCHEMBL3222976 0.81 CTSD (0.48) SIGMAR1CTSDALDH1A1LMNABACE1
SCHEMBL3200570 0.81 SIGMAR1 (0.44) SIGMAR1CTSDSMN1; SMN2P2RX7BACE1
SCHEMBL3215457 0.79 SIGMAR1 (0.48) SIGMAR1CTSDALDH1A1LMNABACE1
SCHEMBL3221511 0.76 SIGMAR1 (0.48) SIGMAR1CTSDTSHR
SCHEMBL3217215 0.76 SIGMAR1 (0.48) SIGMAR1CTSDTNFDRD2DRD1
SCHEMBL3217277 0.76 KDM4E (0.53) SIGMAR1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL3197204 0.75 CTSD (0.45) SIGMAR1CTSDALDH1A1SMN1; SMN2BACE1
SCHEMBL3215576 0.75 SIGMAR1 (0.44) SIGMAR1CTSDGRIN2BALDH1A1TSHR
SCHEMBL4715614 0.75 CTSD (0.46) SIGMAR1CTSDDRD2ALDH1A1POLB

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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIGMAR1 279/4885CTSD 3627/4885TNF 4532/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIGMAR1 279/4885CTSD 3627/4885TNF 4532/4885

“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.