SCHEMBL172196

SCHEMBL172196

Cc1nn(C)cc1CN1CCN(c2nccnc2N2CCC(CO)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
PDE10A Q9Y233 8/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
RET P07949 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL12742602 0.83 DRD2 (0.64) PDE10ALMNAKDM4EALDH1A1DRD2
Hydrochloric Acid SCHEMBL125248 0.82 DRD2 (0.62) PDE10ALMNAKDM4EALDH1A1DRD2
SCHEMBL3323487 0.80 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL122179 0.80 PDE10A (0.43) PDE10AALDH1A1DRD2DRD4DRD3
SCHEMBL12742592 0.80 PDE10A (0.41) PDE10AL3MBTL1
SCHEMBL12742597 0.79 PDE10A (0.43) PDE10ADRD2DRD4DRD3RET
Hydrochloric Acid SCHEMBL124908 0.79 PDE10A (0.41) PDE10AL3MBTL1
Hydrochloric Acid SCHEMBL125616 0.79 PDE10A (0.43) PDE10AALDH1A1DRD2DRD4DRD3
SCHEMBL171928 0.79 DRD2 (0.49) KMT2APDE10ALMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL121579 0.78 PDE10A (0.42) PDE10ADRD2DRD4DRD3RET

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 KMT2A 2688/4885PDE10A 703/4885LMNA 2287/4885

“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.