SCHEMBL172283

SCHEMBL172283

Cc1c(CN2CCN(c3nccnc3N3CCC(F)CC3)CC2)cnn1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.50
DRD2 P14416 4/20 0.50
DRD4 P21917 4/20 0.50
DRD3 P35462 4/20 0.50
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CHIA Q9BZP6 1/20 0.39
HTR7 P34969 1/20 0.38
POLB P06746 1/20 0.37
GRM2 Q14416 1/20 0.37

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 SCHEMBL124581 0.99 DRD4 (0.49) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL12742626 0.91 DRD2 (0.49) SMODRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL123993 0.90 DRD2 (0.48) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL12742620 0.89 SMO (0.47) SMODRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL124639 0.88 SMO (0.47) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL9961722 0.83 KDM4E (0.53) SMODRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL3321797 0.82 KDM4E (0.52) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL172181 0.82 SMO (0.43) SMODRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL125421 0.81 SMO (0.42) SMODRD2DRD4DRD3ALDH1A1
SCHEMBL9961714 0.81 KDM4E (0.48) SMODRD2DRD4DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C SMO 848/4885DRD2 226/4885DRD4 349/4885

“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.