SCHEMBL3840902

SCHEMBL3840902

CN1CCN(c2ccc3[nH]c(CC(=O)O)nc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DRD4 P21917 4/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 2/20 0.44
BRD4 O60885 3/20 0.43
TOP1 P11387 2/20 0.43
TOP2A P11388 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL12212362 0.90 ALDH1A1 (0.54) LMNATSHRKDM4ESMN1; SMN2NPC1
SCHEMBL3841371 0.85 PARP14 (0.46) KDM4EDRD4DRD2DRD3MEN1
SCHEMBL3741042 0.85 HSD17B10 (0.57) LMNATSHRKDM4ESMN1; SMN2NPC1
SCHEMBL10330203 0.81 BRD4 (0.56) LMNATSHRKDM4ESMN1; SMN2NPC1
SCHEMBL3845055 0.79 PDGFRB (0.44) HRH4PDGFRBFGFR1KDR
SCHEMBL29666061 0.78 HSD17B10 (0.54) LMNATSHRKDM4ESMN1; SMN2NPC1
SCHEMBL23010423 0.76 KDM4E (0.59) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL985935 0.76 HSD17B10 (0.57) LMNATSHRKDM4ESMN1; SMN2NPC1
SCHEMBL29666112 0.76 HSD17B10 (0.54) LMNATSHRKDM4ESMN1; SMN2DRD4
SCHEMBL29666090 0.76 HSD17B10 (0.54) LMNATSHRKDM4ESMN1; SMN2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888556-B1 METHODS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2011-10-26 EP disclosed
EP-1313734-B1 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-11 EP disclosed
US-7368459-B2 Heterocyclic compounds CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20070032528-A1 Heterocyclic compounds RENHOWE PAUL A 2007-02-08 US disclosed
US-7138409-B2 Heterocyclic compounds CHIRON CORPORATION (US) 2006-11-21 US disclosed
US-20050137188-A1 Heterocyclic compounds CHIRON CORPORATION 2005-06-23 US disclosed
US-6759417-B2 VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS; SUCH AS 7-AMINO-6-(1H-BENZIMIDAZOL-2-YL)-3,4-DIHYDRO-5H-IMIDAZO(4,5-B)PYRIDIN-5-ONE CHIRON CORPORATION 2004-07-06 US disclosed
US-6756383-B2 SUCH AS 3-(2-(METHOXYCARBONYL)ACETYLAMINO)PYRIDINE-4-CARBOXYLIC ACID FOR TREATMENT OF DISEASES CHARACTERIZED BY ACTIVITY OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASES; ENZYME INHIBITORS CHIRON CORPORATION 2004-06-29 US disclosed
US-20040002518-A1 Heterocyclic compounds CHIRON CORPORATION 2004-01-01 US disclosed
US-20020103230-A1 Heterocyclic compounds CHIRON CORPORATION 2002-08-01 US 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 (4 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-20020103230-A1 Heterocyclic compounds SLCO2A1, SLCO1B1, SLCO2B1 LMNA 2552/4885TSHR 1556/4885KDM4E 4366/4885
US-20070032528-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 LMNA 3055/4885TSHR 1033/4885KDM4E 3580/4885
US-20050137188-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 LMNA 3055/4885TSHR 1033/4885KDM4E 3580/4885
US-20040002518-A1 Heterocyclic compounds SLCO2A1, SLCO1B1, SLCO2B1 LMNA 2552/4885TSHR 1556/4885KDM4E 4366/4885

“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.