SCHEMBL1346560

SCHEMBL1346560

CCOC(=O)C=C1CCNc2c(F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
ESR2 Q92731 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MDM2 Q00987 1/20 0.34
NLRP3 Q96P20 1/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
OPRM1 P35372 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1346558 1.00 CTDSP1 (0.40) CTDSP1TDP1ESR2SMN1; SMN2ALDH1A1
SCHEMBL1826971 0.76 CTDSP1 (0.47) CTDSP1TDP1ESR2SMN1; SMN2ALDH1A1
SCHEMBL7942826 0.76 CTDSP1 (0.47) CTDSP1TDP1ESR2SMN1; SMN2ALDH1A1
SCHEMBL6781120 0.71 CTDSP1 (0.45) CTDSP1TDP1ESR2ALDH1A1KDM4E
SCHEMBL6781115 0.71 CTDSP1 (0.45) CTDSP1TDP1ESR2ALDH1A1KDM4E
SCHEMBL6781117 0.71 CTDSP1 (0.45) CTDSP1TDP1ESR2ALDH1A1KDM4E
SCHEMBL5479497 0.71 SMN1; SMN2 (0.51) CTDSP1TDP1ESR2SMN1; SMN2ALDH1A1
SCHEMBL31660724 0.71 SMN1; SMN2 (0.51) CTDSP1TDP1ESR2SMN1; SMN2ALDH1A1
SCHEMBL5479500 0.71 SMN1; SMN2 (0.51) CTDSP1TDP1ESR2SMN1; SMN2ALDH1A1
SCHEMBL7399953 0.71 SMN1; SMN2 (0.51) CTDSP1TDP1ESR2SMN1; SMN2ALDH1A1

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
US-8063038-B2 vasopressin V2 receptor agonists for treating nocturnal enuresis, nocturia, diabetes insipidus, urinary incontinence and bleeding disorders; {1-[4-(5H,11H-Benzo[e]pyrrolo[1,2- alpha ][1,4]diazepine-10-carbonyl)-2-methylbenzylcarbamoyl]-8-fluoro-1,2,3,4-tetrahydroquinolin-4-yl}acetic acid ethyl ester VANTIA LIMITED (GB) 2011-11-22 US disclosed
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP disclosed
US-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents FERRING B.V. 2008-09-25 US disclosed
EP-1778677-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS Ferring B.V. (NL) 2007-05-02 EP disclosed
WO-2006018443-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2006-02-23 WO disclosed
EP-1627876-A1 Heterocyclic condensed compounds useful as antidiuretic agents FERRING B.V. (NL) 2006-02-22 EP 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-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents AVPR2, AVPR1A, AVPR1B CTDSP1 2176/4885TDP1 3972/4885ESR2 1216/4885

“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.