SCHEMBL3662621

SCHEMBL3662621

CC1CN(C(=O)OCc2ccccc2)CC(C)N1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.53
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
CACNA1G O43497 1/20 0.50
CACNA1H O95180 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
TMEM97 Q5BJF2 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48

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
SCHEMBL31393228 1.00 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3720336 0.92 HTR2C (0.54) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14372548 0.86 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16472423 0.86 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL15218647 0.86 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30199651 0.86 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29849418 0.85 CHRM1 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30524578 0.85 CHRM1 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30199385 0.84 HTR2C (0.51) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18412900 0.84 SMN1; SMN2 (0.57) HTR2CSMN1; SMN2NPC1RAB9AMEN1

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-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK HTR2C 4583/4885SMN1; SMN2 612/4885NPC1 1909/4885

“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.