SCHEMBL172181

SCHEMBL172181

Cc1nn(-c2ccccn2)c(C)c1CN1CCN(c2nccnc2N2CCC(F)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CHIA Q9BZP6 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
P2RX7 Q99572 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM2 Q14416 1/20 0.37
AVPR1A P37288 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 SCHEMBL125421 0.99 SMO (0.42) SMOMAPTKMT2ACHIAALDH1A1
SCHEMBL172033 0.89 PDE10A (0.46) SMOMAPTKMT2ACHIAALDH1A1
Hydrochloric Acid SCHEMBL125078 0.88 PDE10A (0.46) SMOMAPTKMT2ACHIAALDH1A1
SCHEMBL9961696 0.83 KDM4E (0.53) SMOMAPTKMT2ACHIAALDH1A1
Hydrochloric Acid SCHEMBL3320968 0.82 KDM4E (0.52) SMOMAPTKMT2ACHIAALDH1A1
SCHEMBL12742572 0.82 SMO (0.45) SMOMAPTKMT2ACHIAALDH1A1
SCHEMBL172283 0.82 SMO (0.50) SMOMAPTKMT2ACHIAALDH1A1
Hydrochloric Acid SCHEMBL124195 0.81 SMO (0.44) SMOMAPTKMT2ACHIAALDH1A1
Hydrochloric Acid SCHEMBL124581 0.81 DRD4 (0.49) SMOMAPTKMT2ACHIAALDH1A1
SCHEMBL9961713 0.81 KDM4E (0.48) SMOMAPTKMT2ACHIAALDH1A1

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 848/4885MAPT 2788/4885KMT2A 2688/4885

“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.